Mercurial > repos > marcel > caddsuite_mac10_6
comparison CADDSuite-1.6/data/QSAR/dragon_descriptors.txt @ 8:dbb480e39d95 draft
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| author | marcel |
|---|---|
| date | Sat, 15 Dec 2012 13:15:46 -0500 |
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| 7:bfab27640f5e | 8:dbb480e39d95 |
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| 1 MW molecular weight | |
| 2 AMW average molecular weight | |
| 3 Sv sum of atomic van der Waals volumes (scaled on Carbon atom) | |
| 4 Se sum of atomic Sanderson electronegativities (scaled on Carbon atom) | |
| 5 Sp sum of atomic polarizabilities (scaled on Carbon atom) | |
| 6 Ss sum of Kier-Hall electrotopological states | |
| 7 Mv mean atomic van der Waals volume (scaled on Carbon atom) | |
| 8 Me mean atomic Sanderson electronegativity (scaled on Carbon atom) | |
| 9 Mp mean atomic polarizability (scaled on Carbon atom) | |
| 10 Ms mean electrotopological state | |
| 11 nAT number of atoms | |
| 12 nSK number of non-H atoms | |
| 13 nBT number of bonds | |
| 14 nBO number of non-H bonds | |
| 15 nBM number of multiple bonds | |
| 16 SCBO sum of conventional bond orders (H-depleted) | |
| 17 ARR aromatic ratio | |
| 18 nCIC number of rings | |
| 19 nCIR number of circuits | |
| 20 RBN number of rotatable bonds | |
| 21 RBF rotatable bond fraction | |
| 22 nDB number of double bonds | |
| 23 nTB number of triple bonds | |
| 24 nAB number of aromatic bonds | |
| 25 nH number of Hydrogen atoms | |
| 26 nC number of Carbon atoms | |
| 27 nN number of Nitrogen atoms | |
| 28 nO number of Oxygen atoms | |
| 29 nP number of Phosphorous atoms | |
| 30 nS number of Sulfur atoms | |
| 31 nF number of Fluorine atoms | |
| 32 nCL number of Chlorine atoms | |
| 33 nBR number of Bromine atoms | |
| 34 nI number of Iodine atoms | |
| 35 nB number of Boron atoms | |
| 36 nHM number of heavy atoms | |
| 37 nX number of halogen atoms | |
| 38 nR03 number of 3-membered rings | |
| 39 nR04 number of 4-membered rings | |
| 40 nR05 number of 5-membered rings | |
| 41 nR06 number of 6-membered rings | |
| 42 nR07 number of 7-membered rings | |
| 43 nR08 number of 8-membered rings | |
| 44 nR09 number of 9-membered rings | |
| 45 nR10 number of 10-membered rings | |
| 46 nR11 number of 11-membered rings | |
| 47 nR12 number of 12-membered rings | |
| 48 nBnz number of benzene-like rings | |
| 49 ZM1 first Zagreb index M1 | |
| 50 ZM1V first Zagreb index by valence vertex degrees | |
| 51 ZM2 second Zagreb index M2 | |
| 52 ZM2V second Zagreb index by valence vertex degrees | |
| 53 Qindex Quadratic index | |
| 54 SNar Narumi simple topological index (log) | |
| 55 HNar Narumi harmonic topological index | |
| 56 GNar Narumi geometric topological index | |
| 57 Xt Total structure connectivity index | |
| 58 Dz Pogliani index | |
| 59 Ram ramification index | |
| 60 Pol polarity number | |
| 61 LPRS log of product of row sums (PRS) | |
| 62 VDA average vertex distance degree | |
| 63 MSD mean square distance index (Balaban) | |
| 64 SMTI Schultz Molecular Topological Index (MTI) | |
| 65 SMTIV Schultz MTI by valence vertex degrees | |
| 66 GMTI Gutman Molecular Topological Index | |
| 67 GMTIV Gutman MTI by valence vertex degrees | |
| 68 Xu Xu index | |
| 69 SPI superpendentic index | |
| 70 W Wiener W index | |
| 71 WA mean Wiener index | |
| 72 Har Harary H index | |
| 73 Har2 square reciprocal distance sum index | |
| 74 QW quasi-Wiener index (Kirchhoff number) | |
| 75 TI1 first Mohar index TI1 | |
| 76 TI2 second Mohar index TI2 | |
| 77 STN spanning tree number (log) | |
| 78 HyDp hyper-distance-path index | |
| 79 RHyDp reciprocal hyper-distance-path index | |
| 80 w detour index | |
| 81 ww hyper-detour index | |
| 82 Rww reciprocal hyper-detour index | |
| 83 D/D distance/detour index | |
| 84 Wap all-path Wiener index | |
| 85 WhetZ Wiener-type index from Z weighted distance matrix (Barysz matrix) | |
| 86 Whetm Wiener-type index from mass weighted distance matrix | |
| 87 Whetv Wiener-type index from van der Waals weighted distance matrix | |
| 88 Whete Wiener-type index from electronegativity weighted distance matrix | |
| 89 Whetp Wiener-type index from polarizability weighted distance matrix | |
| 90 J Balaban distance connectivity index | |
| 91 JhetZ Balaban-type index from Z weighted distance matrix (Barysz matrix) | |
| 92 Jhetm Balaban-type index from mass weighted distance matrix | |
| 93 Jhetv Balaban-type index from van der Waals weighted distance matrix | |
| 94 Jhete Balaban-type index from electronegativity weighted distance matrix | |
| 95 Jhetp Balaban-type index from polarizability weighted distance matrix | |
| 96 MAXDN maximal electrotopological negative variation | |
| 97 MAXDP maximal electrotopological positive variation | |
| 98 DELS molecular electrotopological variation | |
| 99 TIE E-state topological parameter | |
| 100 S0K Kier symmetry index | |
| 101 S1K 1-path Kier alpha-modified shape index | |
| 102 S2K 2-path Kier alpha-modified shape index | |
| 103 S3K 3-path Kier alpha-modified shape index | |
| 104 PHI Kier flexibility index | |
| 105 BLI Kier benzene-likeliness index | |
| 106 PW2 path/walk 2 - Randic shape index | |
| 107 PW3 path/walk 3 - Randic shape index | |
| 108 PW4 path/walk 4 - Randic shape index | |
| 109 PW5 path/walk 5 - Randic shape index | |
| 110 PJI2 2D Petitjean shape index | |
| 111 CSI eccentric connectivity index | |
| 112 ECC eccentricity | |
| 113 AECC average eccentricity | |
| 114 DECC eccentric | |
| 115 MDDD mean distance degree deviation | |
| 116 UNIP unipolarity | |
| 117 CENT centralization | |
| 118 VAR variation | |
| 119 BAC Balaban centric index | |
| 120 Lop Lopping centric index | |
| 121 ICR radial centric information index | |
| 122 D/Dr03 distance/detour ring index of order 3 | |
| 123 D/Dr04 distance/detour ring index of order 4 | |
| 124 D/Dr05 distance/detour ring index of order 5 | |
| 125 D/Dr06 distance/detour ring index of order 6 | |
| 126 D/Dr07 distance/detour ring index of order 7 | |
| 127 D/Dr08 distance/detour ring index of order 8 | |
| 128 D/Dr09 distance/detour ring index of order 9 | |
| 129 D/Dr10 distance/detour ring index of order 10 | |
| 130 D/Dr11 distance/detour ring index of order 11 | |
| 131 D/Dr12 distance/detour ring index of order 12 | |
| 132 T(N..N) sum of topological distances between N..N | |
| 133 T(N..O) sum of topological distances between N..O | |
| 134 T(N..S) sum of topological distances between N..S | |
| 135 T(N..P) sum of topological distances between N..P | |
| 136 T(N..F) sum of topological distances between N..F | |
| 137 T(N..Cl) sum of topological distances between N..Cl | |
| 138 T(N..Br) sum of topological distances between N..Br | |
| 139 T(N..I) sum of topological distances between N..I | |
| 140 T(O..O) sum of topological distances between O..O | |
| 141 T(O..S) sum of topological distances between O..S | |
| 142 T(O..P) sum of topological distances between O..P | |
| 143 T(O..F) sum of topological distances between O..F | |
| 144 T(O..Cl) sum of topological distances between O..Cl | |
| 145 T(O..Br) sum of topological distances between O..Br | |
| 146 T(O..I) sum of topological distances between O..I | |
| 147 T(S..S) sum of topological distances between S..S | |
| 148 T(S..P) sum of topological distances between S..P | |
| 149 T(S..F) sum of topological distances between S..F | |
| 150 T(S..Cl) sum of topological distances between S..Cl | |
| 151 T(S..Br) sum of topological distances between S..Br | |
| 152 T(S..I) sum of topological distances between S..I | |
| 153 T(P..P) sum of topological distances between P..P | |
| 154 T(P..F) sum of topological distances between P..F | |
| 155 T(P..Cl) sum of topological distances between P..Cl | |
| 156 T(P..Br) sum of topological distances between P..Br | |
| 157 T(P..I) sum of topological distances between P..I | |
| 158 T(F..F) sum of topological distances between F..F | |
| 159 T(F..Cl) sum of topological distances between F..Cl | |
| 160 T(F..Br) sum of topological distances between F..Br | |
| 161 T(F..I) sum of topological distances between F..I | |
| 162 T(Cl..Cl) sum of topological distances between Cl..Cl | |
| 163 T(Cl..Br) sum of topological distances between Cl..Br | |
| 164 T(Cl..I) sum of topological distances between Cl..I | |
| 165 T(Br..Br) sum of topological distances between Br..Br | |
| 166 T(Br..I) sum of topological distances between Br..I | |
| 167 T(I..I) sum of topological distances between I..I | |
| 168 MWC01 molecular walk count of order 01 (number of non-H bonds, nBO) | |
| 169 MWC02 molecular walk count of order 02 | |
| 170 MWC03 molecular walk count of order 03 | |
| 171 MWC04 molecular walk count of order 04 | |
| 172 MWC05 molecular walk count of order 05 | |
| 173 MWC06 molecular walk count of order 06 | |
| 174 MWC07 molecular walk count of order 07 | |
| 175 MWC08 molecular walk count of order 08 | |
| 176 MWC09 molecular walk count of order 09 | |
| 177 MWC10 molecular walk count of order 10 | |
| 178 TWC total walk count | |
| 179 SRW01 self-returning walk count of order 01 (number of non-H atoms, nSK) | |
| 180 SRW02 self-returning walk count of order 02 (twice the number of non-H bonds) | |
| 181 SRW03 self-returning walk count of order 03 | |
| 182 SRW04 self-returning walk count of order 04 | |
| 183 SRW05 self-returning walk count of order 05 | |
| 184 SRW06 self-returning walk count of order 06 | |
| 185 SRW07 self-returning walk count of order 07 | |
| 186 SRW08 self-returning walk count of order 08 | |
| 187 SRW09 self-returning walk count of order 09 | |
| 188 SRW10 self-returning walk count of order 10 | |
| 189 MPC01 molecular path count of order 01 (number of non-H bonds, nBO) | |
| 190 MPC02 molecular path count of order 02 (Gordon-Scantlebury index) | |
| 191 MPC03 molecular path count of order 03 | |
| 192 MPC04 molecular path count of order 04 | |
| 193 MPC05 molecular path count of order 05 | |
| 194 MPC06 molecular path count of order 06 | |
| 195 MPC07 molecular path count of order 07 | |
| 196 MPC08 molecular path count of order 08 | |
| 197 MPC09 molecular path count of order 09 | |
| 198 MPC10 molecular path count of order 10 | |
| 199 piPC01 molecular multiple path count of order 01 (sum of conventional bond orders, SCBO) | |
| 200 piPC02 molecular multiple path count of order 02 | |
| 201 piPC03 molecular multiple path count of order 03 | |
| 202 piPC04 molecular multiple path count of order 04 | |
| 203 piPC05 molecular multiple path count of order 05 | |
| 204 piPC06 molecular multiple path count of order 06 | |
| 205 piPC07 molecular multiple path count of order 07 | |
| 206 piPC08 molecular multiple path count of order 08 | |
| 207 piPC09 molecular multiple path count of order 09 | |
| 208 piPC10 molecular multiple path count of order 10 | |
| 209 TPC total path count | |
| 210 piID conventional bond-order ID number | |
| 211 PCR ratio of multiple path count over path count | |
| 212 PCD difference between multiple path count and path count | |
| 213 CID Randic ID number | |
| 214 BID Balaban ID number | |
| 215 ISIZ information index on molecular size | |
| 216 IAC total information index of atomic composition | |
| 217 AAC mean information index on atomic composition | |
| 218 IDE mean information content on the distance equality | |
| 219 IDM mean information content on the distance magnitude | |
| 220 IDDE mean information content on the distance degree equality | |
| 221 IDDM mean information content on the distance degree magnitude | |
| 222 IDET total information content on the distance equality | |
| 223 IDMT total information content on the distance magnitude | |
| 224 IVDE mean information content on the vertex degree equality | |
| 225 IVDM mean information content on the vertex degree magnitude | |
| 226 HVcpx graph vertex complexity index | |
| 227 HDcpx graph distance complexity index (log) | |
| 228 Uindex Balaban U index | |
| 229 Vindex Balaban V index | |
| 230 Xindex Balaban X index | |
| 231 Yindex Balaban Y index | |
| 232 IC0 information content index (neighborhood symmetry of 0-order) | |
| 233 TIC0 total information content index (neighborhood symmetry of 0-order) | |
| 234 SIC0 structural information content (neighborhood symmetry of 0-order) | |
| 235 CIC0 complementary information content (neighborhood symmetry of 0-order) | |
| 236 BIC0 bond information content (neighborhood symmetry of 0-order) | |
| 237 IC1 information content index (neighborhood symmetry of 1-order) | |
| 238 TIC1 total information content index (neighborhood symmetry of 1-order) | |
| 239 SIC1 structural information content (neighborhood symmetry of 1-order) | |
| 240 CIC1 complementary information content (neighborhood symmetry of 1-order) | |
| 241 BIC1 bond information content (neighborhood symmetry of 1-order) | |
| 242 IC2 information content index (neighborhood symmetry of 2-order) | |
| 243 TIC2 total information content index (neighborhood symmetry of 2-order) | |
| 244 SIC2 structural information content (neighborhood symmetry of 2-order) | |
| 245 CIC2 complementary information content (neighborhood symmetry of 2-order) | |
| 246 BIC2 bond information content (neighborhood symmetry of 2-order) | |
| 247 IC3 information content index (neighborhood symmetry of 3-order) | |
| 248 TIC3 total information content index (neighborhood symmetry of 3-order) | |
| 249 SIC3 structural information content (neighborhood symmetry of 3-order) | |
| 250 CIC3 complementary information content (neighborhood symmetry of 3-order) | |
| 251 BIC3 bond information content (neighborhood symmetry of 3-order) | |
| 252 IC4 information content index (neighborhood symmetry of 4-order) | |
| 253 TIC4 total information content index (neighborhood symmetry of 4-order) | |
| 254 SIC4 structural information content (neighborhood symmetry of 4-order) | |
| 255 CIC4 complementary information content (neighborhood symmetry of 4-order) | |
| 256 BIC4 bond information content (neighborhood symmetry of 4-order) | |
| 257 IC5 information content index (neighborhood symmetry of 5-order) | |
| 258 TIC5 total information content index (neighborhood symmetry of 5-order) | |
| 259 SIC5 structural information content (neighborhood symmetry of 5-order) | |
| 260 CIC5 complementary information content (neighborhood symmetry of 5-order) | |
| 261 BIC5 bond information content (neighborhood symmetry of 5-order) | |
| 262 ATS1m Broto-Moreau autocorrelation of a topological structure - lag 1 / weighted by atomic masses | |
| 263 ATS2m Broto-Moreau autocorrelation of a topological structure - lag 2 / weighted by atomic masses | |
| 264 ATS3m Broto-Moreau autocorrelation of a topological structure - lag 3 / weighted by atomic masses | |
| 265 ATS4m Broto-Moreau autocorrelation of a topological structure - lag 4 / weighted by atomic masses | |
| 266 ATS5m Broto-Moreau autocorrelation of a topological structure - lag 5 / weighted by atomic masses | |
| 267 ATS6m Broto-Moreau autocorrelation of a topological structure - lag 6 / weighted by atomic masses | |
| 268 ATS7m Broto-Moreau autocorrelation of a topological structure - lag 7 / weighted by atomic masses | |
| 269 ATS8m Broto-Moreau autocorrelation of a topological structure - lag 8 / weighted by atomic masses | |
| 270 ATS1v Broto-Moreau autocorrelation of a topological structure - lag 1 / weighted by atomic van der Waals volumes | |
| 271 ATS2v Broto-Moreau autocorrelation of a topological structure - lag 2 / weighted by atomic van der Waals volumes | |
| 272 ATS3v Broto-Moreau autocorrelation of a topological structure - lag 3 / weighted by atomic van der Waals volumes | |
| 273 ATS4v Broto-Moreau autocorrelation of a topological structure - lag 4 / weighted by atomic van der Waals volumes | |
| 274 ATS5v Broto-Moreau autocorrelation of a topological structure - lag 5 / weighted by atomic van der Waals volumes | |
| 275 ATS6v Broto-Moreau autocorrelation of a topological structure - lag 6 / weighted by atomic van der Waals volumes | |
| 276 ATS7v Broto-Moreau autocorrelation of a topological structure - lag 7 / weighted by atomic van der Waals volumes | |
| 277 ATS8v Broto-Moreau autocorrelation of a topological structure - lag 8 / weighted by atomic van der Waals volumes | |
| 278 ATS1e Broto-Moreau autocorrelation of a topological structure - lag 1 / weighted by atomic Sanderson electronegativities | |
| 279 ATS2e Broto-Moreau autocorrelation of a topological structure - lag 2 / weighted by atomic Sanderson electronegativities | |
| 280 ATS3e Broto-Moreau autocorrelation of a topological structure - lag 3 / weighted by atomic Sanderson electronegativities | |
| 281 ATS4e Broto-Moreau autocorrelation of a topological structure - lag 4 / weighted by atomic Sanderson electronegativities | |
| 282 ATS5e Broto-Moreau autocorrelation of a topological structure - lag 5 / weighted by atomic Sanderson electronegativities | |
| 283 ATS6e Broto-Moreau autocorrelation of a topological structure - lag 6 / weighted by atomic Sanderson electronegativities | |
| 284 ATS7e Broto-Moreau autocorrelation of a topological structure - lag 7 / weighted by atomic Sanderson electronegativities | |
| 285 ATS8e Broto-Moreau autocorrelation of a topological structure - lag 8 / weighted by atomic Sanderson electronegativities | |
| 286 ATS1p Broto-Moreau autocorrelation of a topological structure - lag 1 / weighted by atomic polarizabilities | |
| 287 ATS2p Broto-Moreau autocorrelation of a topological structure - lag 2 / weighted by atomic polarizabilities | |
| 288 ATS3p Broto-Moreau autocorrelation of a topological structure - lag 3 / weighted by atomic polarizabilities | |
| 289 ATS4p Broto-Moreau autocorrelation of a topological structure - lag 4 / weighted by atomic polarizabilities | |
| 290 ATS5p Broto-Moreau autocorrelation of a topological structure - lag 5 / weighted by atomic polarizabilities | |
| 291 ATS6p Broto-Moreau autocorrelation of a topological structure - lag 6 / weighted by atomic polarizabilities | |
| 292 ATS7p Broto-Moreau autocorrelation of a topological structure - lag 7 / weighted by atomic polarizabilities | |
| 293 ATS8p Broto-Moreau autocorrelation of a topological structure - lag 8 / weighted by atomic polarizabilities | |
| 294 MATS1m Moran autocorrelation - lag 1 / weighted by atomic masses | |
| 295 MATS2m Moran autocorrelation - lag 2 / weighted by atomic masses | |
| 296 MATS3m Moran autocorrelation - lag 3 / weighted by atomic masses | |
| 297 MATS4m Moran autocorrelation - lag 4 / weighted by atomic masses | |
| 298 MATS5m Moran autocorrelation - lag 5 / weighted by atomic masses | |
| 299 MATS6m Moran autocorrelation - lag 6 / weighted by atomic masses | |
| 300 MATS7m Moran autocorrelation - lag 7 / weighted by atomic masses | |
| 301 MATS8m Moran autocorrelation - lag 8 / weighted by atomic masses | |
| 302 MATS1v Moran autocorrelation - lag 1 / weighted by atomic van der Waals volumes | |
| 303 MATS2v Moran autocorrelation - lag 2 / weighted by atomic van der Waals volumes | |
| 304 MATS3v Moran autocorrelation - lag 3 / weighted by atomic van der Waals volumes | |
| 305 MATS4v Moran autocorrelation - lag 4 / weighted by atomic van der Waals volumes | |
| 306 MATS5v Moran autocorrelation - lag 5 / weighted by atomic van der Waals volumes | |
| 307 MATS6v Moran autocorrelation - lag 6 / weighted by atomic van der Waals volumes | |
| 308 MATS7v Moran autocorrelation - lag 7 / weighted by atomic van der Waals volumes | |
| 309 MATS8v Moran autocorrelation - lag 8 / weighted by atomic van der Waals volumes | |
| 310 MATS1e Moran autocorrelation - lag 1 / weighted by atomic Sanderson electronegativities | |
| 311 MATS2e Moran autocorrelation - lag 2 / weighted by atomic Sanderson electronegativities | |
| 312 MATS3e Moran autocorrelation - lag 3 / weighted by atomic Sanderson electronegativities | |
| 313 MATS4e Moran autocorrelation - lag 4 / weighted by atomic Sanderson electronegativities | |
| 314 MATS5e Moran autocorrelation - lag 5 / weighted by atomic Sanderson electronegativities | |
| 315 MATS6e Moran autocorrelation - lag 6 / weighted by atomic Sanderson electronegativities | |
| 316 MATS7e Moran autocorrelation - lag 7 / weighted by atomic Sanderson electronegativities | |
| 317 MATS8e Moran autocorrelation - lag 8 / weighted by atomic Sanderson electronegativities | |
| 318 MATS1p Moran autocorrelation - lag 1 / weighted by atomic polarizabilities | |
| 319 MATS2p Moran autocorrelation - lag 2 / weighted by atomic polarizabilities | |
| 320 MATS3p Moran autocorrelation - lag 3 / weighted by atomic polarizabilities | |
| 321 MATS4p Moran autocorrelation - lag 4 / weighted by atomic polarizabilities | |
| 322 MATS5p Moran autocorrelation - lag 5 / weighted by atomic polarizabilities | |
| 323 MATS6p Moran autocorrelation - lag 6 / weighted by atomic polarizabilities | |
| 324 MATS7p Moran autocorrelation - lag 7 / weighted by atomic polarizabilities | |
| 325 MATS8p Moran autocorrelation - lag 8 / weighted by atomic polarizabilities | |
| 326 GATS1m Geary autocorrelation - lag 1 / weighted by atomic masses | |
| 327 GATS2m Geary autocorrelation - lag 2 / weighted by atomic masses | |
| 328 GATS3m Geary autocorrelation - lag 3 / weighted by atomic masses | |
| 329 GATS4m Geary autocorrelation - lag 4 / weighted by atomic masses | |
| 330 GATS5m Geary autocorrelation - lag 5 / weighted by atomic masses | |
| 331 GATS6m Geary autocorrelation - lag 6 / weighted by atomic masses | |
| 332 GATS7m Geary autocorrelation - lag 7 / weighted by atomic masses | |
| 333 GATS8m Geary autocorrelation - lag 8 / weighted by atomic masses | |
| 334 GATS1v Geary autocorrelation - lag 1 / weighted by atomic van der Waals volumes | |
| 335 GATS2v Geary autocorrelation - lag 2 / weighted by atomic van der Waals volumes | |
| 336 GATS3v Geary autocorrelation - lag 3 / weighted by atomic van der Waals volumes | |
| 337 GATS4v Geary autocorrelation - lag 4 / weighted by atomic van der Waals volumes | |
| 338 GATS5v Geary autocorrelation - lag 5 / weighted by atomic van der Waals volumes | |
| 339 GATS6v Geary autocorrelation - lag 6 / weighted by atomic van der Waals volumes | |
| 340 GATS7v Geary autocorrelation - lag 7 / weighted by atomic van der Waals volumes | |
| 341 GATS8v Geary autocorrelation - lag 8 / weighted by atomic van der Waals volumes | |
| 342 GATS1e Geary autocorrelation - lag 1 / weighted by atomic Sanderson electronegativities | |
| 343 GATS2e Geary autocorrelation - lag 2 / weighted by atomic Sanderson electronegativities | |
| 344 GATS3e Geary autocorrelation - lag 3 / weighted by atomic Sanderson electronegativities | |
| 345 GATS4e Geary autocorrelation - lag 4 / weighted by atomic Sanderson electronegativities | |
| 346 GATS5e Geary autocorrelation - lag 5 / weighted by atomic Sanderson electronegativities | |
| 347 GATS6e Geary autocorrelation - lag 6 / weighted by atomic Sanderson electronegativities | |
| 348 GATS7e Geary autocorrelation - lag 7 / weighted by atomic Sanderson electronegativities | |
| 349 GATS8e Geary autocorrelation - lag 8 / weighted by atomic Sanderson electronegativities | |
| 350 GATS1p Geary autocorrelation - lag 1 / weighted by atomic polarizabilities | |
| 351 GATS2p Geary autocorrelation - lag 2 / weighted by atomic polarizabilities | |
| 352 GATS3p Geary autocorrelation - lag 3 / weighted by atomic polarizabilities | |
| 353 GATS4p Geary autocorrelation - lag 4 / weighted by atomic polarizabilities | |
| 354 GATS5p Geary autocorrelation - lag 5 / weighted by atomic polarizabilities | |
| 355 GATS6p Geary autocorrelation - lag 6 / weighted by atomic polarizabilities | |
| 356 GATS7p Geary autocorrelation - lag 7 / weighted by atomic polarizabilities | |
| 357 GATS8p Geary autocorrelation - lag 8 / weighted by atomic polarizabilities | |
| 358 EPS0 edge connectivity index of order 0 | |
| 359 EPS1 edge connectivity index of order 1 | |
| 360 EEig01x Eigenvalue 01from edge adj. matrix weighted by edge degrees | |
| 361 EEig02x Eigenvalue 02from edge adj. matrix weighted by edge degrees | |
| 362 EEig03x Eigenvalue 03from edge adj. matrix weighted by edge degrees | |
| 363 EEig04x Eigenvalue 04from edge adj. matrix weighted by edge degrees | |
| 364 EEig05x Eigenvalue 05from edge adj. matrix weighted by edge degrees | |
| 365 EEig06x Eigenvalue 06from edge adj. matrix weighted by edge degrees | |
| 366 EEig07x Eigenvalue 07from edge adj. matrix weighted by edge degrees | |
| 367 EEig08x Eigenvalue 08from edge adj. matrix weighted by edge degrees | |
| 368 EEig09x Eigenvalue 09from edge adj. matrix weighted by edge degrees | |
| 369 EEig10x Eigenvalue 10from edge adj. matrix weighted by edge degrees | |
| 370 EEig11x Eigenvalue 11from edge adj. matrix weighted by edge degrees | |
| 371 EEig12x Eigenvalue 12from edge adj. matrix weighted by edge degrees | |
| 372 EEig13x Eigenvalue 13from edge adj. matrix weighted by edge degrees | |
| 373 EEig14x Eigenvalue 14from edge adj. matrix weighted by edge degrees | |
| 374 EEig15x Eigenvalue 15from edge adj. matrix weighted by edge degrees | |
| 375 EEig01d Eigenvalue 01 from edge adj. matrix weighted by dipole moments | |
| 376 EEig02d Eigenvalue 02 from edge adj. matrix weighted by dipole moments | |
| 377 EEig03d Eigenvalue 03 from edge adj. matrix weighted by dipole moments | |
| 378 EEig04d Eigenvalue 04 from edge adj. matrix weighted by dipole moments | |
| 379 EEig05d Eigenvalue 05 from edge adj. matrix weighted by dipole moments | |
| 380 EEig06d Eigenvalue 06 from edge adj. matrix weighted by dipole moments | |
| 381 EEig07d Eigenvalue 07 from edge adj. matrix weighted by dipole moments | |
| 382 EEig08d Eigenvalue 08 from edge adj. matrix weighted by dipole moments | |
| 383 EEig09d Eigenvalue 09 from edge adj. matrix weighted by dipole moments | |
| 384 EEig10d Eigenvalue 10 from edge adj. matrix weighted by dipole moments | |
| 385 EEig11d Eigenvalue 11 from edge adj. matrix weighted by dipole moments | |
| 386 EEig12d Eigenvalue 12 from edge adj. matrix weighted by dipole moments | |
| 387 EEig13d Eigenvalue 13 from edge adj. matrix weighted by dipole moments | |
| 388 EEig14d Eigenvalue 14 from edge adj. matrix weighted by dipole moments | |
| 389 EEig15d Eigenvalue 15 from edge adj. matrix weighted by dipole moments | |
| 390 EEig01r Eigenvalue 01 from edge adj. matrix weighted by resonance integrals | |
| 391 EEig02r Eigenvalue 02 from edge adj. matrix weighted by resonance integrals | |
| 392 EEig03r Eigenvalue 03 from edge adj. matrix weighted by resonance integrals | |
| 393 EEig04r Eigenvalue 04 from edge adj. matrix weighted by resonance integrals | |
| 394 EEig05r Eigenvalue 05 from edge adj. matrix weighted by resonance integrals | |
| 395 EEig06r Eigenvalue 06 from edge adj. matrix weighted by resonance integrals | |
| 396 EEig07r Eigenvalue 07 from edge adj. matrix weighted by resonance integrals | |
| 397 EEig08r Eigenvalue 08 from edge adj. matrix weighted by resonance integrals | |
| 398 EEig09r Eigenvalue 09 from edge adj. matrix weighted by resonance integrals | |
| 399 EEig10r Eigenvalue 10 from edge adj. matrix weighted by resonance integrals | |
| 400 EEig11r Eigenvalue 11 from edge adj. matrix weighted by resonance integrals | |
| 401 EEig12r Eigenvalue 12 from edge adj. matrix weighted by resonance integrals | |
| 402 EEig13r Eigenvalue 13 from edge adj. matrix weighted by resonance integrals | |
| 403 EEig14r Eigenvalue 14 from edge adj. matrix weighted by resonance integrals | |
| 404 EEig15r Eigenvalue 15 from edge adj. matrix weighted by resonance integrals | |
| 405 ESpm01u Spectral moment 01 from edge adj. matrix | |
| 406 ESpm02u Spectral moment 02 from edge adj. matrix | |
| 407 ESpm03u Spectral moment 03 from edge adj. matrix | |
| 408 ESpm04u Spectral moment 04 from edge adj. matrix | |
| 409 ESpm05u Spectral moment 05 from edge adj. matrix | |
| 410 ESpm06u Spectral moment 06 from edge adj. matrix | |
| 411 ESpm07u Spectral moment 07 from edge adj. matrix | |
| 412 ESpm08u Spectral moment 08 from edge adj. matrix | |
| 413 ESpm09u Spectral moment 09 from edge adj. matrix | |
| 414 ESpm10u Spectral moment 10 from edge adj. matrix | |
| 415 ESpm11u Spectral moment 11 from edge adj. matrix | |
| 416 ESpm12u Spectral moment 12 from edge adj. matrix | |
| 417 ESpm13u Spectral moment 13 from edge adj. matrix | |
| 418 ESpm14u Spectral moment 14 from edge adj. matrix | |
| 419 ESpm15u Spectral moment 15 from edge adj. matrix | |
| 420 ESpm01x Spectral moment 01 from edge adj. matrix weighted by edge degrees | |
| 421 ESpm02x Spectral moment 02 from edge adj. matrix weighted by edge degrees | |
| 422 ESpm03x Spectral moment 03 from edge adj. matrix weighted by edge degrees | |
| 423 ESpm04x Spectral moment 04 from edge adj. matrix weighted by edge degrees | |
| 424 ESpm05x Spectral moment 05 from edge adj. matrix weighted by edge degrees | |
| 425 ESpm06x Spectral moment 06 from edge adj. matrix weighted by edge degrees | |
| 426 ESpm07x Spectral moment 07 from edge adj. matrix weighted by edge degrees | |
| 427 ESpm08x Spectral moment 08 from edge adj. matrix weighted by edge degrees | |
| 428 ESpm09x Spectral moment 09 from edge adj. matrix weighted by edge degrees | |
| 429 ESpm10x Spectral moment 10 from edge adj. matrix weighted by edge degrees | |
| 430 ESpm11x Spectral moment 11 from edge adj. matrix weighted by edge degrees | |
| 431 ESpm12x Spectral moment 12 from edge adj. matrix weighted by edge degrees | |
| 432 ESpm13x Spectral moment 13 from edge adj. matrix weighted by edge degrees | |
| 433 ESpm14x Spectral moment 14 from edge adj. matrix weighted by edge degrees | |
| 434 ESpm15x Spectral moment 15 from edge adj. matrix weighted by edge degrees | |
| 435 ESpm01d Spectral moment 01 from edge adj. matrix weighted by dipole moments | |
| 436 ESpm02d Spectral moment 02 from edge adj. matrix weighted by dipole moments | |
| 437 ESpm03d Spectral moment 03 from edge adj. matrix weighted by dipole moments | |
| 438 ESpm04d Spectral moment 04 from edge adj. matrix weighted by dipole moments | |
| 439 ESpm05d Spectral moment 05 from edge adj. matrix weighted by dipole moments | |
| 440 ESpm06d Spectral moment 06 from edge adj. matrix weighted by dipole moments | |
| 441 ESpm07d Spectral moment 07 from edge adj. matrix weighted by dipole moments | |
| 442 ESpm08d Spectral moment 08 from edge adj. matrix weighted by dipole moments | |
| 443 ESpm09d Spectral moment 09 from edge adj. matrix weighted by dipole moments | |
| 444 ESpm10d Spectral moment 10 from edge adj. matrix weighted by dipole moments | |
| 445 ESpm11d Spectral moment 11 from edge adj. matrix weighted by dipole moments | |
| 446 ESpm12d Spectral moment 12 from edge adj. matrix weighted by dipole moments | |
| 447 ESpm13d Spectral moment 13 from edge adj. matrix weighted by dipole moments | |
| 448 ESpm14d Spectral moment 14 from edge adj. matrix weighted by dipole moments | |
| 449 ESpm15d Spectral moment 15 from edge adj. matrix weighted by dipole moments | |
| 450 ESpm01r Spectral moment 01 from edge adj. matrix weighted by resonance integrals | |
| 451 ESpm02r Spectral moment 02 from edge adj. matrix weighted by resonance integrals | |
| 452 ESpm03r Spectral moment 03 from edge adj. matrix weighted by resonance integrals | |
| 453 ESpm04r Spectral moment 04 from edge adj. matrix weighted by resonance integrals | |
| 454 ESpm05r Spectral moment 05 from edge adj. matrix weighted by resonance integrals | |
| 455 ESpm06r Spectral moment 06 from edge adj. matrix weighted by resonance integrals | |
| 456 ESpm07r Spectral moment 07 from edge adj. matrix weighted by resonance integrals | |
| 457 ESpm08r Spectral moment 08 from edge adj. matrix weighted by resonance integrals | |
| 458 ESpm09r Spectral moment 09 from edge adj. matrix weighted by resonance integrals | |
| 459 ESpm10r Spectral moment 10 from edge adj. matrix weighted by resonance integrals | |
| 460 ESpm11r Spectral moment 11 from edge adj. matrix weighted by resonance integrals | |
| 461 ESpm12r Spectral moment 12 from edge adj. matrix weighted by resonance integrals | |
| 462 ESpm13r Spectral moment 13 from edge adj. matrix weighted by resonance integrals | |
| 463 ESpm14r Spectral moment 14 from edge adj. matrix weighted by resonance integrals | |
| 464 ESpm15r Spectral moment 15 from edge adj. matrix weighted by resonance integrals | |
| 465 BEHm1 highest eigenvalue n. 1 of Burden matrix / weighted by atomic masses | |
| 466 BEHm2 highest eigenvalue n. 2 of Burden matrix / weighted by atomic masses | |
| 467 BEHm3 highest eigenvalue n. 3 of Burden matrix / weighted by atomic masses | |
| 468 BEHm4 highest eigenvalue n. 4 of Burden matrix / weighted by atomic masses | |
| 469 BEHm5 highest eigenvalue n. 5 of Burden matrix / weighted by atomic masses | |
| 470 BEHm6 highest eigenvalue n. 6 of Burden matrix / weighted by atomic masses | |
| 471 BEHm7 highest eigenvalue n. 7 of Burden matrix / weighted by atomic masses | |
| 472 BEHm8 highest eigenvalue n. 8 of Burden matrix / weighted by atomic masses | |
| 473 BELm1 lowest eigenvalue n. 1 of Burden matrix / weighted by atomic masses | |
| 474 BELm2 lowest eigenvalue n. 2 of Burden matrix / weighted by atomic masses | |
| 475 BELm3 lowest eigenvalue n. 3 of Burden matrix / weighted by atomic masses | |
| 476 BELm4 lowest eigenvalue n. 4 of Burden matrix / weighted by atomic masses | |
| 477 BELm5 lowest eigenvalue n. 5 of Burden matrix / weighted by atomic masses | |
| 478 BELm6 lowest eigenvalue n. 6 of Burden matrix / weighted by atomic masses | |
| 479 BELm7 lowest eigenvalue n. 7 of Burden matrix / weighted by atomic masses | |
| 480 BELm8 lowest eigenvalue n. 8 of Burden matrix / weighted by atomic masses | |
| 481 BEHv1 highest eigenvalue n. 1 of Burden matrix / weighted by atomic van der Waals volumes | |
| 482 BEHv2 highest eigenvalue n. 2 of Burden matrix / weighted by atomic van der Waals volumes | |
| 483 BEHv3 highest eigenvalue n. 3 of Burden matrix / weighted by atomic van der Waals volumes | |
| 484 BEHv4 highest eigenvalue n. 4 of Burden matrix / weighted by atomic van der Waals volumes | |
| 485 BEHv5 highest eigenvalue n. 5 of Burden matrix / weighted by atomic van der Waals volumes | |
| 486 BEHv6 highest eigenvalue n. 6 of Burden matrix / weighted by atomic van der Waals volumes | |
| 487 BEHv7 highest eigenvalue n. 7 of Burden matrix / weighted by atomic van der Waals volumes | |
| 488 BEHv8 highest eigenvalue n. 8 of Burden matrix / weighted by atomic van der Waals volumes | |
| 489 BELv1 lowest eigenvalue n. 1 of Burden matrix / weighted by atomic van der Waals volumes | |
| 490 BELv2 lowest eigenvalue n. 2 of Burden matrix / weighted by atomic van der Waals volumes | |
| 491 BELv3 lowest eigenvalue n. 3 of Burden matrix / weighted by atomic van der Waals volumes | |
| 492 BELv4 lowest eigenvalue n. 4 of Burden matrix / weighted by atomic van der Waals volumes | |
| 493 BELv5 lowest eigenvalue n. 5 of Burden matrix / weighted by atomic van der Waals volumes | |
| 494 BELv6 lowest eigenvalue n. 6 of Burden matrix / weighted by atomic van der Waals volumes | |
| 495 BELv7 lowest eigenvalue n. 7 of Burden matrix / weighted by atomic van der Waals volumes | |
| 496 BELv8 lowest eigenvalue n. 8 of Burden matrix / weighted by atomic van der Waals volumes | |
| 497 BEHe1 highest eigenvalue n. 1 of Burden matrix / weighted by atomic Sanderson electronegativities | |
| 498 BEHe2 highest eigenvalue n. 2 of Burden matrix / weighted by atomic Sanderson electronegativities | |
| 499 BEHe3 highest eigenvalue n. 3 of Burden matrix / weighted by atomic Sanderson electronegativities | |
| 500 BEHe4 highest eigenvalue n. 4 of Burden matrix / weighted by atomic Sanderson electronegativities | |
| 501 BEHe5 highest eigenvalue n. 5 of Burden matrix / weighted by atomic Sanderson electronegativities | |
| 502 BEHe6 highest eigenvalue n. 6 of Burden matrix / weighted by atomic Sanderson electronegativities | |
| 503 BEHe7 highest eigenvalue n. 7 of Burden matrix / weighted by atomic Sanderson electronegativities | |
| 504 BEHe8 highest eigenvalue n. 8 of Burden matrix / weighted by atomic Sanderson electronegativities | |
| 505 BELe1 lowest eigenvalue n. 1 of Burden matrix / weighted by atomic Sanderson electronegativities | |
| 506 BELe2 lowest eigenvalue n. 2 of Burden matrix / weighted by atomic Sanderson electronegativities | |
| 507 BELe3 lowest eigenvalue n. 3 of Burden matrix / weighted by atomic Sanderson electronegativities | |
| 508 BELe4 lowest eigenvalue n. 4 of Burden matrix / weighted by atomic Sanderson electronegativities | |
| 509 BELe5 lowest eigenvalue n. 5 of Burden matrix / weighted by atomic Sanderson electronegativities | |
| 510 BELe6 lowest eigenvalue n. 6 of Burden matrix / weighted by atomic Sanderson electronegativities | |
| 511 BELe7 lowest eigenvalue n. 7 of Burden matrix / weighted by atomic Sanderson electronegativities | |
| 512 BELe8 lowest eigenvalue n. 8 of Burden matrix / weighted by atomic Sanderson electronegativities | |
| 513 BEHp1 highest eigenvalue n. 1 of Burden matrix / weighted by atomic polarizabilities | |
| 514 BEHp2 highest eigenvalue n. 2 of Burden matrix / weighted by atomic polarizabilities | |
| 515 BEHp3 highest eigenvalue n. 3 of Burden matrix / weighted by atomic polarizabilities | |
| 516 BEHp4 highest eigenvalue n. 4 of Burden matrix / weighted by atomic polarizabilities | |
| 517 BEHp5 highest eigenvalue n. 5 of Burden matrix / weighted by atomic polarizabilities | |
| 518 BEHp6 highest eigenvalue n. 6 of Burden matrix / weighted by atomic polarizabilities | |
| 519 BEHp7 highest eigenvalue n. 7 of Burden matrix / weighted by atomic polarizabilities | |
| 520 BEHp8 highest eigenvalue n. 8 of Burden matrix / weighted by atomic polarizabilities | |
| 521 BELp1 lowest eigenvalue n. 1 of Burden matrix / weighted by atomic polarizabilities | |
| 522 BELp2 lowest eigenvalue n. 2 of Burden matrix / weighted by atomic polarizabilities | |
| 523 BELp3 lowest eigenvalue n. 3 of Burden matrix / weighted by atomic polarizabilities | |
| 524 BELp4 lowest eigenvalue n. 4 of Burden matrix / weighted by atomic polarizabilities | |
| 525 BELp5 lowest eigenvalue n. 5 of Burden matrix / weighted by atomic polarizabilities | |
| 526 BELp6 lowest eigenvalue n. 6 of Burden matrix / weighted by atomic polarizabilities | |
| 527 BELp7 lowest eigenvalue n. 7 of Burden matrix / weighted by atomic polarizabilities | |
| 528 BELp8 lowest eigenvalue n. 8 of Burden matrix / weighted by atomic polarizabilities | |
| 529 GGI1 topological charge index of order 1 | |
| 530 GGI2 topological charge index of order 2 | |
| 531 GGI3 topological charge index of order 3 | |
| 532 GGI4 topological charge index of order 4 | |
| 533 GGI5 topological charge index of order 5 | |
| 534 GGI6 topological charge index of order 6 | |
| 535 GGI7 topological charge index of order 7 | |
| 536 GGI8 topological charge index of order 8 | |
| 537 GGI9 topological charge index of order 9 | |
| 538 GGI10 topological charge index of order 10 | |
| 539 JGI1 mean topological charge index of order1 | |
| 540 JGI2 mean topological charge index of order2 | |
| 541 JGI3 mean topological charge index of order3 | |
| 542 JGI4 mean topological charge index of order4 | |
| 543 JGI5 mean topological charge index of order5 | |
| 544 JGI6 mean topological charge index of order6 | |
| 545 JGI7 mean topological charge index of order7 | |
| 546 JGI8 mean topological charge index of order8 | |
| 547 JGI9 mean topological charge index of order9 | |
| 548 JGI10 mean topological charge index of order10 | |
| 549 JGT global topological charge index | |
| 550 LP1 Lovasz-Pelikan index (leading eigenvalue) | |
| 551 Eig1Z Leading eigenvalue from Z weighted distance matrix (Barysz matrix) | |
| 552 Eig1m Leading eigenvalue from mass weighted distance matrix | |
| 553 Eig1v Leading eigenvalue from van der Waals weighted distance matrix | |
| 554 Eig1e Leading eigenvalue from electronegativity weighted distance matrix | |
| 555 Eig1p Leading eigenvalue from polarizability weighted distance matrix | |
| 556 SEigZ Eigenvalue sum from Z weighted distance matrix (Barysz matrix) | |
| 557 SEigm Eigenvalue sum from mass weighted distance matrix | |
| 558 SEigv Eigenvalue sum from van der Waals weighted distance matrix | |
| 559 SEige Eigenvalue sum from electronegativity weighted distance matrix | |
| 560 SEigp Eigenvalue sum from polarizability weighted distance matrix | |
| 561 AEigZ Absolute eigenvalue sum from Z weighted distance matrix (Barysz matrix) | |
| 562 AEigm Absolute eigenvalue sum from mass weighted distance matrix | |
| 563 AEigv Absolute eigenvalue sum from van der Waals weighted distance matrix | |
| 564 AEige Absolute eigenvalue sum from electronegativity weighted distance matrix | |
| 565 AEigp Absolute eigenvalue sum from polarizability weighted distance matrix | |
| 566 VEA1 eigenvector coefficient sum from adjacency matrix | |
| 567 VEA2 average eigenvector coefficient sum from adjacency matrix | |
| 568 VRA1 Randic-type eigenvector-based index from adjacency matrix | |
| 569 VRA2 average Randic-type eigenvector-based index from adjacency matrix | |
| 570 VED1 eigenvector coefficient sum from distance matrix | |
| 571 VED2 average eigenvector coefficient sum from distance matrix | |
| 572 VRD1 Randic-type eigenvector-based index from distance matrix | |
| 573 VRD2 average Randic-type eigenvector-based index from distance matrix | |
| 574 VEZ1 eigenvector coefficient sum from Z weighted distance matrix (Barysz matrix) | |
| 575 VEZ2 average eigenvector coefficient sum from Z weighted distance matrix (Barysz matrix) | |
| 576 VRZ1 Randic-type eigenvector-based index from Z weighted distance matrix (Barysz matrix) | |
| 577 VRZ2 average Randic-type eigenvector-based index from Z weighted distance matrix (Barysz matrix) | |
| 578 VEm1 eigenvector coefficient sum from mass weighted distance matrix | |
| 579 VEm2 average eigenvector coefficient sum from mass weighted distance matrix | |
| 580 VRm1 Randic-type eigenvector-based index from mass weighted distance matrix | |
| 581 VRm2 average Randic-type eigenvector-based index from mass weighted distance matrix | |
| 582 VEv1 eigenvector coefficient sum from van der Waals weighted distance matrix | |
| 583 VEv2 average eigenvector coefficient sum from van der Waals weighted distance matrix | |
| 584 VRv1 Randic-type eigenvector-based index from van der Waals weighted distance matrix | |
| 585 VRv2 average Randic-type eigenvector-based index from van der Waals weighted distance matrix | |
| 586 VEe1 eigenvector coefficient sum from electronegativity weighted distance matrix | |
| 587 VEe2 average eigenvector coefficient sum from electronegativity weighted distance matrix | |
| 588 VRe1 Randic-type eigenvector-based index from electronegativity weighted distance matrix | |
| 589 VRe2 average Randic-type eigenvector-based index from electronegativity weighted distance matrix | |
| 590 VEp1 eigenvector coefficient sum from polarizability weighted distance matrix | |
| 591 VEp2 average eigenvector coefficient sum from polarizability weighted distance matrix | |
| 592 VRp1 Randic-type eigenvector-based index from polarizability weighted distance matrix | |
| 593 VRp2 average Randic-type eigenvector-based index from polarizability weighted distance matrix | |
| 594 DP01 molecular profile no. 01 | |
| 595 DP02 molecular profile no. 02 | |
| 596 DP03 molecular profile no. 03 | |
| 597 DP04 molecular profile no. 04 | |
| 598 DP05 molecular profile no. 05 | |
| 599 DP06 molecular profile no. 06 | |
| 600 DP07 molecular profile no. 07 | |
| 601 DP08 molecular profile no. 08 | |
| 602 DP09 molecular profile no. 09 | |
| 603 DP10 molecular profile no. 10 | |
| 604 DP11 molecular profile no. 11 | |
| 605 DP12 molecular profile no. 12 | |
| 606 DP13 molecular profile no. 13 | |
| 607 DP14 molecular profile no. 14 | |
| 608 DP15 molecular profile no. 15 | |
| 609 DP16 molecular profile no. 16 | |
| 610 DP17 molecular profile no. 17 | |
| 611 DP18 molecular profile no. 18 | |
| 612 DP19 molecular profile no. 19 | |
| 613 DP20 molecular profile no. 20 | |
| 614 SP01 shape profile no. 01 | |
| 615 SP02 shape profile no. 02 | |
| 616 SP03 shape profile no. 03 | |
| 617 SP04 shape profile no. 04 | |
| 618 SP05 shape profile no. 05 | |
| 619 SP06 shape profile no. 06 | |
| 620 SP07 shape profile no. 07 | |
| 621 SP08 shape profile no. 08 | |
| 622 SP09 shape profile no. 09 | |
| 623 SP10 shape profile no. 10 | |
| 624 SP11 shape profile no. 11 | |
| 625 SP12 shape profile no. 12 | |
| 626 SP13 shape profile no. 13 | |
| 627 SP14 shape profile no. 14 | |
| 628 SP15 shape profile no. 15 | |
| 629 SP16 shape profile no. 16 | |
| 630 SP17 shape profile no. 17 | |
| 631 SP18 shape profile no. 18 | |
| 632 SP19 shape profile no. 19 | |
| 633 SP20 shape profile no. 20 | |
| 634 SHP2 average shape profile index of order 2 | |
| 635 W3D 3D-Wiener index | |
| 636 J3D 3D-Balaban index | |
| 637 H3D 3D-Harary index | |
| 638 AGDD average geometric distance degree | |
| 639 DDI D/D index | |
| 640 ADDD average distance/distance degree | |
| 641 G1 gravitational index G1 | |
| 642 G2 gravitational index G2 (bond-restricted) | |
| 643 RGyr radius of gyration (mass weighted) | |
| 644 SPAN span R | |
| 645 SPAM average span R | |
| 646 MEcc molecular eccentricity | |
| 647 SPH spherosity | |
| 648 ASP asphericity | |
| 649 FDI folding degree index | |
| 650 PJI3 3D Petijean shape index | |
| 651 L/Bw length-to-breadth ratio by WHIM | |
| 652 SEig absolute eigenvalue sum on geometry matrix | |
| 653 HOMA Harmonic Oscillator Model of Aromaticity index | |
| 654 RCI Jug RC index | |
| 655 AROM aromaticity (trial) | |
| 656 HOMT HOMA total (trial) | |
| 657 DISPm d COMMA2 value / weighted by atomic masses | |
| 658 QXXm Qxx COMMA2 value / weighted by atomic masses | |
| 659 QYYm Qyy COMMA2 value / weighted by atomic masses | |
| 660 QZZm Qzz COMMA2 value / weighted by atomic masses | |
| 661 DISPv d COMMA2 value / weighted by atomic van der Waals volumes | |
| 662 QXXv Qxx COMMA2 value / weighted by atomic van der Waals volumes | |
| 663 QYYv Qyy COMMA2 value / weighted by atomic van der Waals volumes | |
| 664 QZZv Qzz COMMA2 value / weighted by atomic van der Waals volumes | |
| 665 DISPe d COMMA2 value / weighted by atomic Sanderson electronegativities | |
| 666 QXXe Qxx COMMA2 value / weighted by atomic Sanderson electronegativities | |
| 667 QYYe Qyy COMMA2 value / weighted by atomic Sanderson electronegativities | |
| 668 QZZe Qzz COMMA2 value / weighted by atomic Sanderson electronegativities | |
| 669 DISPp d COMMA2 value / weighted by atomic polarizabilities | |
| 670 QXXp Qxx COMMA2 value / weighted by atomic polarizabilities | |
| 671 QYYp Qyy COMMA2 value / weighted by atomic polarizabilities | |
| 672 QZZp Qzz COMMA2 value / weighted by atomic polarizabilities | |
| 673 G(N..N) sum of geometrical distances between N..N | |
| 674 G(N..O) sum of geometrical distances between N..O | |
| 675 G(N..S) sum of geometrical distances between N..S | |
| 676 G(N..P) sum of geometrical distances between N..P | |
| 677 G(N..F) sum of geometrical distances between N..F | |
| 678 G(N..Cl) sum of geometrical distances between N..Cl | |
| 679 G(N..Br) sum of geometrical distances between N..Br | |
| 680 G(N..I) sum of geometrical distances between N..I | |
| 681 G(O..O) sum of geometrical distances between O..O | |
| 682 G(O..S) sum of geometrical distances between O..S | |
| 683 G(O..P) sum of geometrical distances between O..P | |
| 684 G(O..F) sum of geometrical distances between O..F | |
| 685 G(O..Cl) sum of geometrical distances between O..Cl | |
| 686 G(O..Br) sum of geometrical distances between O..Br | |
| 687 G(O..I) sum of geometrical distances between O..I | |
| 688 G(S..S) sum of geometrical distances between S..S | |
| 689 G(S..P) sum of geometrical distances between S..P | |
| 690 G(S..F) sum of geometrical distances between S..F | |
| 691 G(S..Cl) sum of geometrical distances between S..Cl | |
| 692 G(S..Br) sum of geometrical distances between S..Br | |
| 693 G(S..I) sum of geometrical distances between S..I | |
| 694 G(P..P) sum of geometrical distances between P..P | |
| 695 G(P..F) sum of geometrical distances between P..F | |
| 696 G(P..Cl) sum of geometrical distances between P..Cl | |
| 697 G(P..Br) sum of geometrical distances between P..Br | |
| 698 G(P..I) sum of geometrical distances between P..I | |
| 699 G(F..F) sum of geometrical distances between F..F | |
| 700 G(F..Cl) sum of geometrical distances between F..Cl | |
| 701 G(F..Br) sum of geometrical distances between F..Br | |
| 702 G(F..I) sum of geometrical distances between F..I | |
| 703 G(Cl..Cl) sum of geometrical distances between Cl..Cl | |
| 704 G(Cl..Br) sum of geometrical distances between Cl..Br | |
| 705 G(Cl..I) sum of geometrical distances between Cl..I | |
| 706 G(Br..Br) sum of geometrical distances between Br..Br | |
| 707 G(Br..I) sum of geometrical distances between Br..I | |
| 708 G(I..I) sum of geometrical distances between I..I | |
| 709 RDF010u Radial Distribution Function - 1.0 / unweighted | |
| 710 RDF015u Radial Distribution Function - 1.5 / unweighted | |
| 711 RDF020u Radial Distribution Function - 2.0 / unweighted | |
| 712 RDF025u Radial Distribution Function - 2.5 / unweighted | |
| 713 RDF030u Radial Distribution Function - 3.0 / unweighted | |
| 714 RDF035u Radial Distribution Function - 3.5 / unweighted | |
| 715 RDF040u Radial Distribution Function - 4.0 / unweighted | |
| 716 RDF045u Radial Distribution Function - 4.5 / unweighted | |
| 717 RDF050u Radial Distribution Function - 5.0 / unweighted | |
| 718 RDF055u Radial Distribution Function - 5.5 / unweighted | |
| 719 RDF060u Radial Distribution Function - 6.0 / unweighted | |
| 720 RDF065u Radial Distribution Function - 6.5 / unweighted | |
| 721 RDF070u Radial Distribution Function - 7.0 / unweighted | |
| 722 RDF075u Radial Distribution Function - 7.5 / unweighted | |
| 723 RDF080u Radial Distribution Function - 8.0 / unweighted | |
| 724 RDF085u Radial Distribution Function - 8.5 / unweighted | |
| 725 RDF090u Radial Distribution Function - 9.0 / unweighted | |
| 726 RDF095u Radial Distribution Function - 9.5 / unweighted | |
| 727 RDF100u Radial Distribution Function - 10.0 / unweighted | |
| 728 RDF105u Radial Distribution Function - 10.5 / unweighted | |
| 729 RDF110u Radial Distribution Function - 11.0 / unweighted | |
| 730 RDF115u Radial Distribution Function - 11.5 / unweighted | |
| 731 RDF120u Radial Distribution Function - 12.0 / unweighted | |
| 732 RDF125u Radial Distribution Function - 12.5 / unweighted | |
| 733 RDF130u Radial Distribution Function - 13.0 / unweighted | |
| 734 RDF135u Radial Distribution Function - 13.5 / unweighted | |
| 735 RDF140u Radial Distribution Function - 14.0 / unweighted | |
| 736 RDF145u Radial Distribution Function - 14.5 / unweighted | |
| 737 RDF150u Radial Distribution Function - 15.0 / unweighted | |
| 738 RDF155u Radial Distribution Function - 15.5 / unweighted | |
| 739 RDF010m Radial Distribution Function - 1.0 / weighted by atomic masses | |
| 740 RDF015m Radial Distribution Function - 1.5 / weighted by atomic masses | |
| 741 RDF020m Radial Distribution Function - 2.0 / weighted by atomic masses | |
| 742 RDF025m Radial Distribution Function - 2.5 / weighted by atomic masses | |
| 743 RDF030m Radial Distribution Function - 3.0 / weighted by atomic masses | |
| 744 RDF035m Radial Distribution Function - 3.5 / weighted by atomic masses | |
| 745 RDF040m Radial Distribution Function - 4.0 / weighted by atomic masses | |
| 746 RDF045m Radial Distribution Function - 4.5 / weighted by atomic masses | |
| 747 RDF050m Radial Distribution Function - 5.0 / weighted by atomic masses | |
| 748 RDF055m Radial Distribution Function - 5.5 / weighted by atomic masses | |
| 749 RDF060m Radial Distribution Function - 6.0 / weighted by atomic masses | |
| 750 RDF065m Radial Distribution Function - 6.5 / weighted by atomic masses | |
| 751 RDF070m Radial Distribution Function - 7.0 / weighted by atomic masses | |
| 752 RDF075m Radial Distribution Function - 7.5 / weighted by atomic masses | |
| 753 RDF080m Radial Distribution Function - 8.0 / weighted by atomic masses | |
| 754 RDF085m Radial Distribution Function - 8.5 / weighted by atomic masses | |
| 755 RDF090m Radial Distribution Function - 9.0 / weighted by atomic masses | |
| 756 RDF095m Radial Distribution Function - 9.5 / weighted by atomic masses | |
| 757 RDF100m Radial Distribution Function - 10.0 / weighted by atomic masses | |
| 758 RDF105m Radial Distribution Function - 10.5 / weighted by atomic masses | |
| 759 RDF110m Radial Distribution Function - 11.0 / weighted by atomic masses | |
| 760 RDF115m Radial Distribution Function - 11.5 / weighted by atomic masses | |
| 761 RDF120m Radial Distribution Function - 12.0 / weighted by atomic masses | |
| 762 RDF125m Radial Distribution Function - 12.5 / weighted by atomic masses | |
| 763 RDF130m Radial Distribution Function - 13.0 / weighted by atomic masses | |
| 764 RDF135m Radial Distribution Function - 13.5 / weighted by atomic masses | |
| 765 RDF140m Radial Distribution Function - 14.0 / weighted by atomic masses | |
| 766 RDF145m Radial Distribution Function - 14.5 / weighted by atomic masses | |
| 767 RDF150m Radial Distribution Function - 15.0 / weighted by atomic masses | |
| 768 RDF155m Radial Distribution Function - 15.5 / weighted by atomic masses | |
| 769 RDF010v Radial Distribution Function - 1.0 / weighted by atomic van der Waals volumes | |
| 770 RDF015v Radial Distribution Function - 1.5 / weighted by atomic van der Waals volumes | |
| 771 RDF020v Radial Distribution Function - 2.0 / weighted by atomic van der Waals volumes | |
| 772 RDF025v Radial Distribution Function - 2.5 / weighted by atomic van der Waals volumes | |
| 773 RDF030v Radial Distribution Function - 3.0 / weighted by atomic van der Waals volumes | |
| 774 RDF035v Radial Distribution Function - 3.5 / weighted by atomic van der Waals volumes | |
| 775 RDF040v Radial Distribution Function - 4.0 / weighted by atomic van der Waals volumes | |
| 776 RDF045v Radial Distribution Function - 4.5 / weighted by atomic van der Waals volumes | |
| 777 RDF050v Radial Distribution Function - 5.0 / weighted by atomic van der Waals volumes | |
| 778 RDF055v Radial Distribution Function - 5.5 / weighted by atomic van der Waals volumes | |
| 779 RDF060v Radial Distribution Function - 6.0 / weighted by atomic van der Waals volumes | |
| 780 RDF065v Radial Distribution Function - 6.5 / weighted by atomic van der Waals volumes | |
| 781 RDF070v Radial Distribution Function - 7.0 / weighted by atomic van der Waals volumes | |
| 782 RDF075v Radial Distribution Function - 7.5 / weighted by atomic van der Waals volumes | |
| 783 RDF080v Radial Distribution Function - 8.0 / weighted by atomic van der Waals volumes | |
| 784 RDF085v Radial Distribution Function - 8.5 / weighted by atomic van der Waals volumes | |
| 785 RDF090v Radial Distribution Function - 9.0 / weighted by atomic van der Waals volumes | |
| 786 RDF095v Radial Distribution Function - 9.5 / weighted by atomic van der Waals volumes | |
| 787 RDF100v Radial Distribution Function - 10.0 / weighted by atomic van der Waals volumes | |
| 788 RDF105v Radial Distribution Function - 10.5 / weighted by atomic van der Waals volumes | |
| 789 RDF110v Radial Distribution Function - 11.0 / weighted by atomic van der Waals volumes | |
| 790 RDF115v Radial Distribution Function - 11.5 / weighted by atomic van der Waals volumes | |
| 791 RDF120v Radial Distribution Function - 12.0 / weighted by atomic van der Waals volumes | |
| 792 RDF125v Radial Distribution Function - 12.5 / weighted by atomic van der Waals volumes | |
| 793 RDF130v Radial Distribution Function - 13.0 / weighted by atomic van der Waals volumes | |
| 794 RDF135v Radial Distribution Function - 13.5 / weighted by atomic van der Waals volumes | |
| 795 RDF140v Radial Distribution Function - 14.0 / weighted by atomic van der Waals volumes | |
| 796 RDF145v Radial Distribution Function - 14.5 / weighted by atomic van der Waals volumes | |
| 797 RDF150v Radial Distribution Function - 15.0 / weighted by atomic van der Waals volumes | |
| 798 RDF155v Radial Distribution Function - 15.5 / weighted by atomic van der Waals volumes | |
| 799 RDF010e Radial Distribution Function - 1.0 / weighted by atomic Sanderson electronegativities | |
| 800 RDF015e Radial Distribution Function - 1.5 / weighted by atomic Sanderson electronegativities | |
| 801 RDF020e Radial Distribution Function - 2.0 / weighted by atomic Sanderson electronegativities | |
| 802 RDF025e Radial Distribution Function - 2.5 / weighted by atomic Sanderson electronegativities | |
| 803 RDF030e Radial Distribution Function - 3.0 / weighted by atomic Sanderson electronegativities | |
| 804 RDF035e Radial Distribution Function - 3.5 / weighted by atomic Sanderson electronegativities | |
| 805 RDF040e Radial Distribution Function - 4.0 / weighted by atomic Sanderson electronegativities | |
| 806 RDF045e Radial Distribution Function - 4.5 / weighted by atomic Sanderson electronegativities | |
| 807 RDF050e Radial Distribution Function - 5.0 / weighted by atomic Sanderson electronegativities | |
| 808 RDF055e Radial Distribution Function - 5.5 / weighted by atomic Sanderson electronegativities | |
| 809 RDF060e Radial Distribution Function - 6.0 / weighted by atomic Sanderson electronegativities | |
| 810 RDF065e Radial Distribution Function - 6.5 / weighted by atomic Sanderson electronegativities | |
| 811 RDF070e Radial Distribution Function - 7.0 / weighted by atomic Sanderson electronegativities | |
| 812 RDF075e Radial Distribution Function - 7.5 / weighted by atomic Sanderson electronegativities | |
| 813 RDF080e Radial Distribution Function - 8.0 / weighted by atomic Sanderson electronegativities | |
| 814 RDF085e Radial Distribution Function - 8.5 / weighted by atomic Sanderson electronegativities | |
| 815 RDF090e Radial Distribution Function - 9.0 / weighted by atomic Sanderson electronegativities | |
| 816 RDF095e Radial Distribution Function - 9.5 / weighted by atomic Sanderson electronegativities | |
| 817 RDF100e Radial Distribution Function - 10.0 / weighted by atomic Sanderson electronegativities | |
| 818 RDF105e Radial Distribution Function - 10.5 / weighted by atomic Sanderson electronegativities | |
| 819 RDF110e Radial Distribution Function - 11.0 / weighted by atomic Sanderson electronegativities | |
| 820 RDF115e Radial Distribution Function - 11.5 / weighted by atomic Sanderson electronegativities | |
| 821 RDF120e Radial Distribution Function - 12.0 / weighted by atomic Sanderson electronegativities | |
| 822 RDF125e Radial Distribution Function - 12.5 / weighted by atomic Sanderson electronegativities | |
| 823 RDF130e Radial Distribution Function - 13.0 / weighted by atomic Sanderson electronegativities | |
| 824 RDF135e Radial Distribution Function - 13.5 / weighted by atomic Sanderson electronegativities | |
| 825 RDF140e Radial Distribution Function - 14.0 / weighted by atomic Sanderson electronegativities | |
| 826 RDF145e Radial Distribution Function - 14.5 / weighted by atomic Sanderson electronegativities | |
| 827 RDF150e Radial Distribution Function - 15.0 / weighted by atomic Sanderson electronegativities | |
| 828 RDF155e Radial Distribution Function - 15.5 / weighted by atomic Sanderson electronegativities | |
| 829 RDF010p Radial Distribution Function - 1.0 / weighted by atomic polarizabilities | |
| 830 RDF015p Radial Distribution Function - 1.5 / weighted by atomic polarizabilities | |
| 831 RDF020p Radial Distribution Function - 2.0 / weighted by atomic polarizabilities | |
| 832 RDF025p Radial Distribution Function - 2.5 / weighted by atomic polarizabilities | |
| 833 RDF030p Radial Distribution Function - 3.0 / weighted by atomic polarizabilities | |
| 834 RDF035p Radial Distribution Function - 3.5 / weighted by atomic polarizabilities | |
| 835 RDF040p Radial Distribution Function - 4.0 / weighted by atomic polarizabilities | |
| 836 RDF045p Radial Distribution Function - 4.5 / weighted by atomic polarizabilities | |
| 837 RDF050p Radial Distribution Function - 5.0 / weighted by atomic polarizabilities | |
| 838 RDF055p Radial Distribution Function - 5.5 / weighted by atomic polarizabilities | |
| 839 RDF060p Radial Distribution Function - 6.0 / weighted by atomic polarizabilities | |
| 840 RDF065p Radial Distribution Function - 6.5 / weighted by atomic polarizabilities | |
| 841 RDF070p Radial Distribution Function - 7.0 / weighted by atomic polarizabilities | |
| 842 RDF075p Radial Distribution Function - 7.5 / weighted by atomic polarizabilities | |
| 843 RDF080p Radial Distribution Function - 8.0 / weighted by atomic polarizabilities | |
| 844 RDF085p Radial Distribution Function - 8.5 / weighted by atomic polarizabilities | |
| 845 RDF090p Radial Distribution Function - 9.0 / weighted by atomic polarizabilities | |
| 846 RDF095p Radial Distribution Function - 9.5 / weighted by atomic polarizabilities | |
| 847 RDF100p Radial Distribution Function - 10.0 / weighted by atomic polarizabilities | |
| 848 RDF105p Radial Distribution Function - 10.5 / weighted by atomic polarizabilities | |
| 849 RDF110p Radial Distribution Function - 11.0 / weighted by atomic polarizabilities | |
| 850 RDF115p Radial Distribution Function - 11.5 / weighted by atomic polarizabilities | |
| 851 RDF120p Radial Distribution Function - 12.0 / weighted by atomic polarizabilities | |
| 852 RDF125p Radial Distribution Function - 12.5 / weighted by atomic polarizabilities | |
| 853 RDF130p Radial Distribution Function - 13.0 / weighted by atomic polarizabilities | |
| 854 RDF135p Radial Distribution Function - 13.5 / weighted by atomic polarizabilities | |
| 855 RDF140p Radial Distribution Function - 14.0 / weighted by atomic polarizabilities | |
| 856 RDF145p Radial Distribution Function - 14.5 / weighted by atomic polarizabilities | |
| 857 RDF150p Radial Distribution Function - 15.0 / weighted by atomic polarizabilities | |
| 858 RDF155p Radial Distribution Function - 15.5 / weighted by atomic polarizabilities | |
| 859 Mor01u 3D-MoRSE - signal 01 / unweighted | |
| 860 Mor02u 3D-MoRSE - signal 02 / unweighted | |
| 861 Mor03u 3D-MoRSE - signal 03 / unweighted | |
| 862 Mor04u 3D-MoRSE - signal 04 / unweighted | |
| 863 Mor05u 3D-MoRSE - signal 05 / unweighted | |
| 864 Mor06u 3D-MoRSE - signal 06 / unweighted | |
| 865 Mor07u 3D-MoRSE - signal 07 / unweighted | |
| 866 Mor08u 3D-MoRSE - signal 08 / unweighted | |
| 867 Mor09u 3D-MoRSE - signal 09 / unweighted | |
| 868 Mor10u 3D-MoRSE - signal 10 / unweighted | |
| 869 Mor11u 3D-MoRSE - signal 11 / unweighted | |
| 870 Mor12u 3D-MoRSE - signal 12 / unweighted | |
| 871 Mor13u 3D-MoRSE - signal 13 / unweighted | |
| 872 Mor14u 3D-MoRSE - signal 14 / unweighted | |
| 873 Mor15u 3D-MoRSE - signal 15 / unweighted | |
| 874 Mor16u 3D-MoRSE - signal 16 / unweighted | |
| 875 Mor17u 3D-MoRSE - signal 17 / unweighted | |
| 876 Mor18u 3D-MoRSE - signal 18 / unweighted | |
| 877 Mor19u 3D-MoRSE - signal 19 / unweighted | |
| 878 Mor20u 3D-MoRSE - signal 20 / unweighted | |
| 879 Mor21u 3D-MoRSE - signal 21 / unweighted | |
| 880 Mor22u 3D-MoRSE - signal 22 / unweighted | |
| 881 Mor23u 3D-MoRSE - signal 23 / unweighted | |
| 882 Mor24u 3D-MoRSE - signal 24 / unweighted | |
| 883 Mor25u 3D-MoRSE - signal 25 / unweighted | |
| 884 Mor26u 3D-MoRSE - signal 26 / unweighted | |
| 885 Mor27u 3D-MoRSE - signal 27 / unweighted | |
| 886 Mor28u 3D-MoRSE - signal 28 / unweighted | |
| 887 Mor29u 3D-MoRSE - signal 29 / unweighted | |
| 888 Mor30u 3D-MoRSE - signal 30 / unweighted | |
| 889 Mor31u 3D-MoRSE - signal 31 / unweighted | |
| 890 Mor32u 3D-MoRSE - signal 32 / unweighted | |
| 891 Mor01m 3D-MoRSE - signal 01 / weighted by atomic masses | |
| 892 Mor02m 3D-MoRSE - signal 02 / weighted by atomic masses | |
| 893 Mor03m 3D-MoRSE - signal 03 / weighted by atomic masses | |
| 894 Mor04m 3D-MoRSE - signal 04 / weighted by atomic masses | |
| 895 Mor05m 3D-MoRSE - signal 05 / weighted by atomic masses | |
| 896 Mor06m 3D-MoRSE - signal 06 / weighted by atomic masses | |
| 897 Mor07m 3D-MoRSE - signal 07 / weighted by atomic masses | |
| 898 Mor08m 3D-MoRSE - signal 08 / weighted by atomic masses | |
| 899 Mor09m 3D-MoRSE - signal 09 / weighted by atomic masses | |
| 900 Mor10m 3D-MoRSE - signal 10 / weighted by atomic masses | |
| 901 Mor11m 3D-MoRSE - signal 11 / weighted by atomic masses | |
| 902 Mor12m 3D-MoRSE - signal 12 / weighted by atomic masses | |
| 903 Mor13m 3D-MoRSE - signal 13 / weighted by atomic masses | |
| 904 Mor14m 3D-MoRSE - signal 14 / weighted by atomic masses | |
| 905 Mor15m 3D-MoRSE - signal 15 / weighted by atomic masses | |
| 906 Mor16m 3D-MoRSE - signal 16 / weighted by atomic masses | |
| 907 Mor17m 3D-MoRSE - signal 17 / weighted by atomic masses | |
| 908 Mor18m 3D-MoRSE - signal 18 / weighted by atomic masses | |
| 909 Mor19m 3D-MoRSE - signal 19 / weighted by atomic masses | |
| 910 Mor20m 3D-MoRSE - signal 20 / weighted by atomic masses | |
| 911 Mor21m 3D-MoRSE - signal 21 / weighted by atomic masses | |
| 912 Mor22m 3D-MoRSE - signal 22 / weighted by atomic masses | |
| 913 Mor23m 3D-MoRSE - signal 23 / weighted by atomic masses | |
| 914 Mor24m 3D-MoRSE - signal 24 / weighted by atomic masses | |
| 915 Mor25m 3D-MoRSE - signal 25 / weighted by atomic masses | |
| 916 Mor26m 3D-MoRSE - signal 26 / weighted by atomic masses | |
| 917 Mor27m 3D-MoRSE - signal 27 / weighted by atomic masses | |
| 918 Mor28m 3D-MoRSE - signal 28 / weighted by atomic masses | |
| 919 Mor29m 3D-MoRSE - signal 29 / weighted by atomic masses | |
| 920 Mor30m 3D-MoRSE - signal 30 / weighted by atomic masses | |
| 921 Mor31m 3D-MoRSE - signal 31 / weighted by atomic masses | |
| 922 Mor32m 3D-MoRSE - signal 32 / weighted by atomic masses | |
| 923 Mor01v 3D-MoRSE - signal 01 / weighted by atomic van der Waals volumes | |
| 924 Mor02v 3D-MoRSE - signal 02 / weighted by atomic van der Waals volumes | |
| 925 Mor03v 3D-MoRSE - signal 03 / weighted by atomic van der Waals volumes | |
| 926 Mor04v 3D-MoRSE - signal 04 / weighted by atomic van der Waals volumes | |
| 927 Mor05v 3D-MoRSE - signal 05 / weighted by atomic van der Waals volumes | |
| 928 Mor06v 3D-MoRSE - signal 06 / weighted by atomic van der Waals volumes | |
| 929 Mor07v 3D-MoRSE - signal 07 / weighted by atomic van der Waals volumes | |
| 930 Mor08v 3D-MoRSE - signal 08 / weighted by atomic van der Waals volumes | |
| 931 Mor09v 3D-MoRSE - signal 09 / weighted by atomic van der Waals volumes | |
| 932 Mor10v 3D-MoRSE - signal 10 / weighted by atomic van der Waals volumes | |
| 933 Mor11v 3D-MoRSE - signal 11 / weighted by atomic van der Waals volumes | |
| 934 Mor12v 3D-MoRSE - signal 12 / weighted by atomic van der Waals volumes | |
| 935 Mor13v 3D-MoRSE - signal 13 / weighted by atomic van der Waals volumes | |
| 936 Mor14v 3D-MoRSE - signal 14 / weighted by atomic van der Waals volumes | |
| 937 Mor15v 3D-MoRSE - signal 15 / weighted by atomic van der Waals volumes | |
| 938 Mor16v 3D-MoRSE - signal 16 / weighted by atomic van der Waals volumes | |
| 939 Mor17v 3D-MoRSE - signal 17 / weighted by atomic van der Waals volumes | |
| 940 Mor18v 3D-MoRSE - signal 18 / weighted by atomic van der Waals volumes | |
| 941 Mor19v 3D-MoRSE - signal 19 / weighted by atomic van der Waals volumes | |
| 942 Mor20v 3D-MoRSE - signal 20 / weighted by atomic van der Waals volumes | |
| 943 Mor21v 3D-MoRSE - signal 21 / weighted by atomic van der Waals volumes | |
| 944 Mor22v 3D-MoRSE - signal 22 / weighted by atomic van der Waals volumes | |
| 945 Mor23v 3D-MoRSE - signal 23 / weighted by atomic van der Waals volumes | |
| 946 Mor24v 3D-MoRSE - signal 24 / weighted by atomic van der Waals volumes | |
| 947 Mor25v 3D-MoRSE - signal 25 / weighted by atomic van der Waals volumes | |
| 948 Mor26v 3D-MoRSE - signal 26 / weighted by atomic van der Waals volumes | |
| 949 Mor27v 3D-MoRSE - signal 27 / weighted by atomic van der Waals volumes | |
| 950 Mor28v 3D-MoRSE - signal 28 / weighted by atomic van der Waals volumes | |
| 951 Mor29v 3D-MoRSE - signal 29 / weighted by atomic van der Waals volumes | |
| 952 Mor30v 3D-MoRSE - signal 30 / weighted by atomic van der Waals volumes | |
| 953 Mor31v 3D-MoRSE - signal 31 / weighted by atomic van der Waals volumes | |
| 954 Mor32v 3D-MoRSE - signal 32 / weighted by atomic van der Waals volumes | |
| 955 Mor01e 3D-MoRSE - signal 01 / weighted by atomic Sanderson electronegativities | |
| 956 Mor02e 3D-MoRSE - signal 02 / weighted by atomic Sanderson electronegativities | |
| 957 Mor03e 3D-MoRSE - signal 03 / weighted by atomic Sanderson electronegativities | |
| 958 Mor04e 3D-MoRSE - signal 04 / weighted by atomic Sanderson electronegativities | |
| 959 Mor05e 3D-MoRSE - signal 05 / weighted by atomic Sanderson electronegativities | |
| 960 Mor06e 3D-MoRSE - signal 06 / weighted by atomic Sanderson electronegativities | |
| 961 Mor07e 3D-MoRSE - signal 07 / weighted by atomic Sanderson electronegativities | |
| 962 Mor08e 3D-MoRSE - signal 08 / weighted by atomic Sanderson electronegativities | |
| 963 Mor09e 3D-MoRSE - signal 09 / weighted by atomic Sanderson electronegativities | |
| 964 Mor10e 3D-MoRSE - signal 10 / weighted by atomic Sanderson electronegativities | |
| 965 Mor11e 3D-MoRSE - signal 11 / weighted by atomic Sanderson electronegativities | |
| 966 Mor12e 3D-MoRSE - signal 12 / weighted by atomic Sanderson electronegativities | |
| 967 Mor13e 3D-MoRSE - signal 13 / weighted by atomic Sanderson electronegativities | |
| 968 Mor14e 3D-MoRSE - signal 14 / weighted by atomic Sanderson electronegativities | |
| 969 Mor15e 3D-MoRSE - signal 15 / weighted by atomic Sanderson electronegativities | |
| 970 Mor16e 3D-MoRSE - signal 16 / weighted by atomic Sanderson electronegativities | |
| 971 Mor17e 3D-MoRSE - signal 17 / weighted by atomic Sanderson electronegativities | |
| 972 Mor18e 3D-MoRSE - signal 18 / weighted by atomic Sanderson electronegativities | |
| 973 Mor19e 3D-MoRSE - signal 19 / weighted by atomic Sanderson electronegativities | |
| 974 Mor20e 3D-MoRSE - signal 20 / weighted by atomic Sanderson electronegativities | |
| 975 Mor21e 3D-MoRSE - signal 21 / weighted by atomic Sanderson electronegativities | |
| 976 Mor22e 3D-MoRSE - signal 22 / weighted by atomic Sanderson electronegativities | |
| 977 Mor23e 3D-MoRSE - signal 23 / weighted by atomic Sanderson electronegativities | |
| 978 Mor24e 3D-MoRSE - signal 24 / weighted by atomic Sanderson electronegativities | |
| 979 Mor25e 3D-MoRSE - signal 25 / weighted by atomic Sanderson electronegativities | |
| 980 Mor26e 3D-MoRSE - signal 26 / weighted by atomic Sanderson electronegativities | |
| 981 Mor27e 3D-MoRSE - signal 27 / weighted by atomic Sanderson electronegativities | |
| 982 Mor28e 3D-MoRSE - signal 28 / weighted by atomic Sanderson electronegativities | |
| 983 Mor29e 3D-MoRSE - signal 29 / weighted by atomic Sanderson electronegativities | |
| 984 Mor30e 3D-MoRSE - signal 30 / weighted by atomic Sanderson electronegativities | |
| 985 Mor31e 3D-MoRSE - signal 31 / weighted by atomic Sanderson electronegativities | |
| 986 Mor32e 3D-MoRSE - signal 32 / weighted by atomic Sanderson electronegativities | |
| 987 Mor01p 3D-MoRSE - signal 01 / weighted by atomic polarizabilities | |
| 988 Mor02p 3D-MoRSE - signal 02 / weighted by atomic polarizabilities | |
| 989 Mor03p 3D-MoRSE - signal 03 / weighted by atomic polarizabilities | |
| 990 Mor04p 3D-MoRSE - signal 04 / weighted by atomic polarizabilities | |
| 991 Mor05p 3D-MoRSE - signal 05 / weighted by atomic polarizabilities | |
| 992 Mor06p 3D-MoRSE - signal 06 / weighted by atomic polarizabilities | |
| 993 Mor07p 3D-MoRSE - signal 07 / weighted by atomic polarizabilities | |
| 994 Mor08p 3D-MoRSE - signal 08 / weighted by atomic polarizabilities | |
| 995 Mor09p 3D-MoRSE - signal 09 / weighted by atomic polarizabilities | |
| 996 Mor10p 3D-MoRSE - signal 10 / weighted by atomic polarizabilities | |
| 997 Mor11p 3D-MoRSE - signal 11 / weighted by atomic polarizabilities | |
| 998 Mor12p 3D-MoRSE - signal 12 / weighted by atomic polarizabilities | |
| 999 Mor13p 3D-MoRSE - signal 13 / weighted by atomic polarizabilities | |
| 1000 Mor14p 3D-MoRSE - signal 14 / weighted by atomic polarizabilities | |
| 1001 Mor15p 3D-MoRSE - signal 15 / weighted by atomic polarizabilities | |
| 1002 Mor16p 3D-MoRSE - signal 16 / weighted by atomic polarizabilities | |
| 1003 Mor17p 3D-MoRSE - signal 17 / weighted by atomic polarizabilities | |
| 1004 Mor18p 3D-MoRSE - signal 18 / weighted by atomic polarizabilities | |
| 1005 Mor19p 3D-MoRSE - signal 19 / weighted by atomic polarizabilities | |
| 1006 Mor20p 3D-MoRSE - signal 20 / weighted by atomic polarizabilities | |
| 1007 Mor21p 3D-MoRSE - signal 21 / weighted by atomic polarizabilities | |
| 1008 Mor22p 3D-MoRSE - signal 22 / weighted by atomic polarizabilities | |
| 1009 Mor23p 3D-MoRSE - signal 23 / weighted by atomic polarizabilities | |
| 1010 Mor24p 3D-MoRSE - signal 24 / weighted by atomic polarizabilities | |
| 1011 Mor25p 3D-MoRSE - signal 25 / weighted by atomic polarizabilities | |
| 1012 Mor26p 3D-MoRSE - signal 26 / weighted by atomic polarizabilities | |
| 1013 Mor27p 3D-MoRSE - signal 27 / weighted by atomic polarizabilities | |
| 1014 Mor28p 3D-MoRSE - signal 28 / weighted by atomic polarizabilities | |
| 1015 Mor29p 3D-MoRSE - signal 29 / weighted by atomic polarizabilities | |
| 1016 Mor30p 3D-MoRSE - signal 30 / weighted by atomic polarizabilities | |
| 1017 Mor31p 3D-MoRSE - signal 31 / weighted by atomic polarizabilities | |
| 1018 Mor32p 3D-MoRSE - signal 32 / weighted by atomic polarizabilities | |
| 1019 L1u 1st component size directional WHIM index / unweighted | |
| 1020 L2u 2nd component size directional WHIM index / unweighted | |
| 1021 L3u 3rd component size directional WHIM index / unweighted | |
| 1022 P1u 1st component shape directional WHIM index / unweighted | |
| 1023 P2u 2nd component shape directional WHIM index / unweighted | |
| 1024 G1u 1st component symmetry directional WHIM index / unweighted | |
| 1025 G2u 2st component symmetry directional WHIM index / unweighted | |
| 1026 G3u 3st component symmetry directional WHIM index / unweighted | |
| 1027 E1u 1st component accessibility directional WHIM index / unweighted | |
| 1028 E2u 2nd component accessibility directional WHIM index / unweighted | |
| 1029 E3u 3rd component accessibility directional WHIM index / unweighted | |
| 1030 L1m 1st component size directional WHIM index / weighted by atomic masses | |
| 1031 L2m 2nd component size directional WHIM index / weighted by atomic masses | |
| 1032 L3m 3rd component size directional WHIM index / weighted by atomic masses | |
| 1033 P1m 1st component shape directional WHIM index / weighted by atomic masses | |
| 1034 P2m 2nd component shape directional WHIM index / weighted by atomic masses | |
| 1035 G1m 1st component symmetry directional WHIM index / weighted by atomic masses | |
| 1036 G2m 2st component symmetry directional WHIM index / weighted by atomic masses | |
| 1037 G3m 3st component symmetry directional WHIM index / weighted by atomic masses | |
| 1038 E1m 1st component accessibility directional WHIM index / weighted by atomic masses | |
| 1039 E2m 2nd component accessibility directional WHIM index / weighted by atomic masses | |
| 1040 E3m 3rd component accessibility directional WHIM index / weighted by atomic masses | |
| 1041 L1v 1st component size directional WHIM index / weighted by atomic van der Waals volumes | |
| 1042 L2v 2nd component size directional WHIM index / weighted by atomic van der Waals volumes | |
| 1043 L3v 3rd component size directional WHIM index / weighted by atomic van der Waals volumes | |
| 1044 P1v 1st component shape directional WHIM index / weighted by atomic van der Waals volumes | |
| 1045 P2v 2nd component shape directional WHIM index / weighted by atomic van der Waals volumes | |
| 1046 G1v 1st component symmetry directional WHIM index / weighted by atomic van der Waals volumes | |
| 1047 G2v 2st component symmetry directional WHIM index / weighted by atomic van der Waals volumes | |
| 1048 G3v 3st component symmetry directional WHIM index / weighted by atomic van der Waals volumes | |
| 1049 E1v 1st component accessibility directional WHIM index / weighted by atomic van der Waals volumes | |
| 1050 E2v 2nd component accessibility directional WHIM index / weighted by atomic van der Waals volumes | |
| 1051 E3v 3rd component accessibility directional WHIM index / weighted by atomic van der Waals volumes | |
| 1052 L1e 1st component size directional WHIM index / weighted by atomic Sanderson electronegativities | |
| 1053 L2e 2nd component size directional WHIM index / weighted by atomic Sanderson electronegativities | |
| 1054 L3e 3rd component size directional WHIM index / weighted by atomic Sanderson electronegativities | |
| 1055 P1e 1st component shape directional WHIM index / weighted by atomic Sanderson electronegativities | |
| 1056 P2e 2nd component shape directional WHIM index / weighted by atomic Sanderson electronegativities | |
| 1057 G1e 1st component symmetry directional WHIM index / weighted by atomic Sanderson electronegativities | |
| 1058 G2e 2st component symmetry directional WHIM index / weighted by atomic Sanderson electronegativities | |
| 1059 G3e 3st component symmetry directional WHIM index / weighted by atomic Sanderson electronegativities | |
| 1060 E1e 1st component accessibility directional WHIM index / weighted by atomic Sanderson electronegativities | |
| 1061 E2e 2nd component accessibility directional WHIM index / weighted by atomic Sanderson electronegativities | |
| 1062 E3e 3rd component accessibility directional WHIM index / weighted by atomic Sanderson electronegativities | |
| 1063 L1p 1st component size directional WHIM index / weighted by atomic polarizabilities | |
| 1064 L2p 2nd component size directional WHIM index / weighted by atomic polarizabilities | |
| 1065 L3p 3rd component size directional WHIM index / weighted by atomic polarizabilities | |
| 1066 P1p 1st component shape directional WHIM index / weighted by atomic polarizabilities | |
| 1067 P2p 2nd component shape directional WHIM index / weighted by atomic polarizabilities | |
| 1068 G1p 1st component symmetry directional WHIM index / weighted by atomic polarizabilities | |
| 1069 G2p 2st component symmetry directional WHIM index / weighted by atomic polarizabilities | |
| 1070 G3p 3st component symmetry directional WHIM index / weighted by atomic polarizabilities | |
| 1071 E1p 1st component accessibility directional WHIM index / weighted by atomic polarizabilities | |
| 1072 E2p 2nd component accessibility directional WHIM index / weighted by atomic polarizabilities | |
| 1073 E3p 3rd component accessibility directional WHIM index / weighted by atomic polarizabilities | |
| 1074 L1s 1st component size directional WHIM index / weighted by atomic electrotopological states | |
| 1075 L2s 2nd component size directional WHIM index / weighted by atomic electrotopological states | |
| 1076 L3s 3rd component size directional WHIM index / weighted by atomic electrotopological states | |
| 1077 P1s 1st component shape directional WHIM index / weighted by atomic electrotopological states | |
| 1078 P2s 2nd component shape directional WHIM index / weighted by atomic electrotopological states | |
| 1079 G1s 1st component symmetry directional WHIM index / weighted by atomic electrotopological states | |
| 1080 G2s 2st component symmetry directional WHIM index / weighted by atomic electrotopological states | |
| 1081 G3s 3st component symmetry directional WHIM index / weighted by atomic electrotopological states | |
| 1082 E1s 1st component accessibility directional WHIM index / weighted by atomic electrotopological states | |
| 1083 E2s 2nd component accessibility directional WHIM index / weighted by atomic electrotopological states | |
| 1084 E3s 3rd component accessibility directional WHIM index / weighted by atomic electrotopological states | |
| 1085 Tu T total size index / unweighted | |
| 1086 Tm T total size index / weighted by atomic masses | |
| 1087 Tv T total size index / weighted by atomic van der Waals volumes | |
| 1088 Te T total size index / weighted by atomic Sanderson electronegativities | |
| 1089 Tp T total size index / weighted by atomic polarizabilities | |
| 1090 Ts T total size index / weighted by atomic electrotopological states | |
| 1091 Au A total size index / unweighted | |
| 1092 Am A total size index / weighted by atomic masses | |
| 1093 Av A total size index / weighted by atomic van der Waals volumes | |
| 1094 Ae A total size index / weighted by atomic Sanderson electronegativities | |
| 1095 Ap A total size index / weighted by atomic polarizabilities | |
| 1096 As A total size index / weighted by atomic electrotopological states | |
| 1097 Gu G total symmetry index / unweighted | |
| 1098 Gm G total symmetry index / weighted by atomic masses | |
| 1099 Gs G total symmetry index / weighted by atomic electrotopological states | |
| 1100 Ku K global shape index / unweighted | |
| 1101 Km K global shape index / weighted by atomic masses | |
| 1102 Kv K global shape index / weighted by atomic van der Waals volumes | |
| 1103 Ke K global shape index / weighted by atomic Sanderson electronegativities | |
| 1104 Kp K global shape index / weighted by atomic polarizabilities | |
| 1105 Ks K global shape index / weighted by atomic electrotopological states | |
| 1106 Du D total accessibility index / unweighted | |
| 1107 Dm D total accessibility index / weighted by atomic masses | |
| 1108 Dv D total accessibility index / weighted by atomic van der Waals volumes | |
| 1109 De D total accessibility index / weighted by atomic Sanderson electronegativities | |
| 1110 Dp D total accessibility index / weighted by atomic polarizabilities | |
| 1111 Ds D total accessibility index / weighted by atomic electrotopological states | |
| 1112 Vu V total size index / unweighted | |
| 1113 Vm V total size index / weighted by atomic masses | |
| 1114 Vv V total size index / weighted by atomic van der Waals volumes | |
| 1115 Ve V total size index / weighted by atomic Sanderson electronegativities | |
| 1116 Vp V total size index / weighted by atomic polarizabilities | |
| 1117 Vs V total size index / weighted by atomic electrotopological states | |
| 1118 ITH total information content on the leverage equality | |
| 1119 ISH standardized information content on the leverage equality | |
| 1120 HIC mean information content on the leverage magnitude | |
| 1121 HGM geometric mean on the leverage magnitude | |
| 1122 H0u H autocorrelation of lag 0 / unweighted | |
| 1123 H1u H autocorrelation of lag 1 / unweighted | |
| 1124 H2u H autocorrelation of lag 2 / unweighted | |
| 1125 H3u H autocorrelation of lag 3 / unweighted | |
| 1126 H4u H autocorrelation of lag 4 / unweighted | |
| 1127 H5u H autocorrelation of lag 5 / unweighted | |
| 1128 H6u H autocorrelation of lag 6 / unweighted | |
| 1129 H7u H autocorrelation of lag 7 / unweighted | |
| 1130 H8u H autocorrelation of lag 8 / unweighted | |
| 1131 HTu H total index / unweighted | |
| 1132 HATS0u leverage-weighted autocorrelation of lag 0 / unweighted | |
| 1133 HATS1u leverage-weighted autocorrelation of lag 1 / unweighted | |
| 1134 HATS2u leverage-weighted autocorrelation of lag 2 / unweighted | |
| 1135 HATS3u leverage-weighted autocorrelation of lag 3 / unweighted | |
| 1136 HATS4u leverage-weighted autocorrelation of lag 4 / unweighted | |
| 1137 HATS5u leverage-weighted autocorrelation of lag 5 / unweighted | |
| 1138 HATS6u leverage-weighted autocorrelation of lag 6 / unweighted | |
| 1139 HATS7u leverage-weighted autocorrelation of lag 7 / unweighted | |
| 1140 HATS8u leverage-weighted autocorrelation of lag 8 / unweighted | |
| 1141 HATSu leverage-weighted total index / unweighted | |
| 1142 H0m H autocorrelation of lag 0 / weighted by atomic masses | |
| 1143 H1m H autocorrelation of lag 1 / weighted by atomic masses | |
| 1144 H2m H autocorrelation of lag 2 / weighted by atomic masses | |
| 1145 H3m H autocorrelation of lag 3 / weighted by atomic masses | |
| 1146 H4m H autocorrelation of lag 4 / weighted by atomic masses | |
| 1147 H5m H autocorrelation of lag 5 / weighted by atomic masses | |
| 1148 H6m H autocorrelation of lag 6 / weighted by atomic masses | |
| 1149 H7m H autocorrelation of lag 7 / weighted by atomic masses | |
| 1150 H8m H autocorrelation of lag 8 / weighted by atomic masses | |
| 1151 HTm H total index / weighted by atomic masses | |
| 1152 HATS0m leverage-weighted autocorrelation of lag 0 / weighted by atomic masses | |
| 1153 HATS1m leverage-weighted autocorrelation of lag 1 / weighted by atomic masses | |
| 1154 HATS2m leverage-weighted autocorrelation of lag 2 / weighted by atomic masses | |
| 1155 HATS3m leverage-weighted autocorrelation of lag 3 / weighted by atomic masses | |
| 1156 HATS4m leverage-weighted autocorrelation of lag 4 / weighted by atomic masses | |
| 1157 HATS5m leverage-weighted autocorrelation of lag 5 / weighted by atomic masses | |
| 1158 HATS6m leverage-weighted autocorrelation of lag 6 / weighted by atomic masses | |
| 1159 HATS7m leverage-weighted autocorrelation of lag 7 / weighted by atomic masses | |
| 1160 HATS8m leverage-weighted autocorrelation of lag 8 / weighted by atomic masses | |
| 1161 HATSm leverage-weighted total index / weighted by atomic masses | |
| 1162 H0v H autocorrelation of lag 0 / weighted by atomic van der Waals volumes | |
| 1163 H1v H autocorrelation of lag 1 / weighted by atomic van der Waals volumes | |
| 1164 H2v H autocorrelation of lag 2 / weighted by atomic van der Waals volumes | |
| 1165 H3v H autocorrelation of lag 3 / weighted by atomic van der Waals volumes | |
| 1166 H4v H autocorrelation of lag 4 / weighted by atomic van der Waals volumes | |
| 1167 H5v H autocorrelation of lag 5 / weighted by atomic van der Waals volumes | |
| 1168 H6v H autocorrelation of lag 6 / weighted by atomic van der Waals volumes | |
| 1169 H7v H autocorrelation of lag 7 / weighted by atomic van der Waals volumes | |
| 1170 H8v H autocorrelation of lag 8 / weighted by atomic van der Waals volumes | |
| 1171 HTv H total index / weighted by atomic van der Waals volumes | |
| 1172 HATS0v leverage-weighted autocorrelation of lag 0 / weighted by atomic van der Waals volumes | |
| 1173 HATS1v leverage-weighted autocorrelation of lag 1 / weighted by atomic van der Waals volumes | |
| 1174 HATS2v leverage-weighted autocorrelation of lag 2 / weighted by atomic van der Waals volumes | |
| 1175 HATS3v leverage-weighted autocorrelation of lag 3 / weighted by atomic van der Waals volumes | |
| 1176 HATS4v leverage-weighted autocorrelation of lag 4 / weighted by atomic van der Waals volumes | |
| 1177 HATS5v leverage-weighted autocorrelation of lag 5 / weighted by atomic van der Waals volumes | |
| 1178 HATS6v leverage-weighted autocorrelation of lag 6 / weighted by atomic van der Waals volumes | |
| 1179 HATS7v leverage-weighted autocorrelation of lag 7 / weighted by atomic van der Waals volumes | |
| 1180 HATS8v leverage-weighted autocorrelation of lag 8 / weighted by atomic van der Waals volumes | |
| 1181 HATSv leverage-weighted total index / weighted by atomic van der Waals volumes | |
| 1182 H0e H autocorrelation of lag 0 / weighted by atomic Sanderson electronegativities | |
| 1183 H1e H autocorrelation of lag 1 / weighted by atomic Sanderson electronegativities | |
| 1184 H2e H autocorrelation of lag 2 / weighted by atomic Sanderson electronegativities | |
| 1185 H3e H autocorrelation of lag 3 / weighted by atomic Sanderson electronegativities | |
| 1186 H4e H autocorrelation of lag 4 / weighted by atomic Sanderson electronegativities | |
| 1187 H5e H autocorrelation of lag 5 / weighted by atomic Sanderson electronegativities | |
| 1188 H6e H autocorrelation of lag 6 / weighted by atomic Sanderson electronegativities | |
| 1189 H7e H autocorrelation of lag 7 / weighted by atomic Sanderson electronegativities | |
| 1190 H8e H autocorrelation of lag 8 / weighted by atomic Sanderson electronegativities | |
| 1191 HTe H total index / weighted by atomic Sanderson electronegativities | |
| 1192 HATS0e leverage-weighted autocorrelation of lag 0 / weighted by atomic Sanderson electronegativities | |
| 1193 HATS1e leverage-weighted autocorrelation of lag 1 / weighted by atomic Sanderson electronegativities | |
| 1194 HATS2e leverage-weighted autocorrelation of lag 2 / weighted by atomic Sanderson electronegativities | |
| 1195 HATS3e leverage-weighted autocorrelation of lag 3 / weighted by atomic Sanderson electronegativities | |
| 1196 HATS4e leverage-weighted autocorrelation of lag 4 / weighted by atomic Sanderson electronegativities | |
| 1197 HATS5e leverage-weighted autocorrelation of lag 5 / weighted by atomic Sanderson electronegativities | |
| 1198 HATS6e leverage-weighted autocorrelation of lag 6 / weighted by atomic Sanderson electronegativities | |
| 1199 HATS7e leverage-weighted autocorrelation of lag 7 / weighted by atomic Sanderson electronegativities | |
| 1200 HATS8e leverage-weighted autocorrelation of lag 8 / weighted by atomic Sanderson electronegativities | |
| 1201 HATSe leverage-weighted total index / weighted by atomic Sanderson electronegativities | |
| 1202 H0p H autocorrelation of lag 0 / weighted by atomic polarizabilities | |
| 1203 H1p H autocorrelation of lag 1 / weighted by atomic polarizabilities | |
| 1204 H2p H autocorrelation of lag 2 / weighted by atomic polarizabilities | |
| 1205 H3p H autocorrelation of lag 3 / weighted by atomic polarizabilities | |
| 1206 H4p H autocorrelation of lag 4 / weighted by atomic polarizabilities | |
| 1207 H5p H autocorrelation of lag 5 / weighted by atomic polarizabilities | |
| 1208 H6p H autocorrelation of lag 6 / weighted by atomic polarizabilities | |
| 1209 H7p H autocorrelation of lag 7 / weighted by atomic polarizabilities | |
| 1210 H8p H autocorrelation of lag 8 / weighted by atomic polarizabilities | |
| 1211 HTp H total index / weighted by atomic polarizabilities | |
| 1212 HATS0p leverage-weighted autocorrelation of lag 0 / weighted by atomic polarizabilities | |
| 1213 HATS1p leverage-weighted autocorrelation of lag 1 / weighted by atomic polarizabilities | |
| 1214 HATS2p leverage-weighted autocorrelation of lag 2 / weighted by atomic polarizabilities | |
| 1215 HATS3p leverage-weighted autocorrelation of lag 3 / weighted by atomic polarizabilities | |
| 1216 HATS4p leverage-weighted autocorrelation of lag 4 / weighted by atomic polarizabilities | |
| 1217 HATS5p leverage-weighted autocorrelation of lag 5 / weighted by atomic polarizabilities | |
| 1218 HATS6p leverage-weighted autocorrelation of lag 6 / weighted by atomic polarizabilities | |
| 1219 HATS7p leverage-weighted autocorrelation of lag 7 / weighted by atomic polarizabilities | |
| 1220 HATS8p leverage-weighted autocorrelation of lag 8 / weighted by atomic polarizabilities | |
| 1221 HATSp leverage-weighted total index / weighted by atomic polarizabilities | |
| 1222 RCON Randic-type R matrix connectivity | |
| 1223 RARS R matrix average row sum | |
| 1224 REIG first eigenvalue of the R matrix | |
| 1225 R1u R autocorrelation of lag 1 / unweighted | |
| 1226 R2u R autocorrelation of lag 2 / unweighted | |
| 1227 R3u R autocorrelation of lag 3 / unweighted | |
| 1228 R4u R autocorrelation of lag 4 / unweighted | |
| 1229 R5u R autocorrelation of lag 5 / unweighted | |
| 1230 R6u R autocorrelation of lag 6 / unweighted | |
| 1231 R7u R autocorrelation of lag 7 / unweighted | |
| 1232 R8u R autocorrelation of lag 8 / unweighted | |
| 1233 RTu R total index / unweighted | |
| 1234 R1u+ R maximal autocorrelation of lag 1 / unweighted | |
| 1235 R2u+ R maximal autocorrelation of lag 2 / unweighted | |
| 1236 R3u+ R maximal autocorrelation of lag 3 / unweighted | |
| 1237 R4u+ R maximal autocorrelation of lag 4 / unweighted | |
| 1238 R5u+ R maximal autocorrelation of lag 5 / unweighted | |
| 1239 R6u+ R maximal autocorrelation of lag 6 / unweighted | |
| 1240 R7u+ R maximal autocorrelation of lag 7 / unweighted | |
| 1241 R8u+ R maximal autocorrelation of lag 8 / unweighted | |
| 1242 RTu+ R maximal index / unweighted | |
| 1243 R1m R autocorrelation of lag 1 / weighted by atomic masses | |
| 1244 R2m R autocorrelation of lag 2 / weighted by atomic masses | |
| 1245 R3m R autocorrelation of lag 3 / weighted by atomic masses | |
| 1246 R4m R autocorrelation of lag 4 / weighted by atomic masses | |
| 1247 R5m R autocorrelation of lag 5 / weighted by atomic masses | |
| 1248 R6m R autocorrelation of lag 6 / weighted by atomic masses | |
| 1249 R7m R autocorrelation of lag 7 / weighted by atomic masses | |
| 1250 R8m R autocorrelation of lag 8 / weighted by atomic masses | |
| 1251 RTm R total index / weighted by atomic masses | |
| 1252 R1m+ R maximal autocorrelation of lag 1 / weighted by atomic masses | |
| 1253 R2m+ R maximal autocorrelation of lag 2 / weighted by atomic masses | |
| 1254 R3m+ R maximal autocorrelation of lag 3 / weighted by atomic masses | |
| 1255 R4m+ R maximal autocorrelation of lag 4 / weighted by atomic masses | |
| 1256 R5m+ R maximal autocorrelation of lag 5 / weighted by atomic masses | |
| 1257 R6m+ R maximal autocorrelation of lag 6 / weighted by atomic masses | |
| 1258 R7m+ R maximal autocorrelation of lag 7 / weighted by atomic masses | |
| 1259 R8m+ R maximal autocorrelation of lag 8 / weighted by atomic masses | |
| 1260 RTm+ R maximal index / weighted by atomic masses | |
| 1261 R1v R autocorrelation of lag 1 / weighted by atomic van der Waals volumes | |
| 1262 R2v R autocorrelation of lag 2 / weighted by atomic van der Waals volumes | |
| 1263 R3v R autocorrelation of lag 3 / weighted by atomic van der Waals volumes | |
| 1264 R4v R autocorrelation of lag 4 / weighted by atomic van der Waals volumes | |
| 1265 R5v R autocorrelation of lag 5 / weighted by atomic van der Waals volumes | |
| 1266 R6v R autocorrelation of lag 6 / weighted by atomic van der Waals volumes | |
| 1267 R7v R autocorrelation of lag 7 / weighted by atomic van der Waals volumes | |
| 1268 R8v R autocorrelation of lag 8 / weighted by atomic van der Waals volumes | |
| 1269 RTv R total index / weighted by atomic van der Waals volumes | |
| 1270 R1v+ R maximal autocorrelation of lag 1 / weighted by atomic van der Waals volumes | |
| 1271 R2v+ R maximal autocorrelation of lag 2 / weighted by atomic van der Waals volumes | |
| 1272 R3v+ R maximal autocorrelation of lag 3 / weighted by atomic van der Waals volumes | |
| 1273 R4v+ R maximal autocorrelation of lag 4 / weighted by atomic van der Waals volumes | |
| 1274 R5v+ R maximal autocorrelation of lag 5 / weighted by atomic van der Waals volumes | |
| 1275 R6v+ R maximal autocorrelation of lag 6 / weighted by atomic van der Waals volumes | |
| 1276 R7v+ R maximal autocorrelation of lag 7 / weighted by atomic van der Waals volumes | |
| 1277 R8v+ R maximal autocorrelation of lag 8 / weighted by atomic van der Waals volumes | |
| 1278 RTv+ R maximal index / weighted by atomic van der Waals volumes | |
| 1279 R1e R autocorrelation of lag 1 / weighted by atomic Sanderson electronegativities | |
| 1280 R2e R autocorrelation of lag 2 / weighted by atomic Sanderson electronegativities | |
| 1281 R3e R autocorrelation of lag 3 / weighted by atomic Sanderson electronegativities | |
| 1282 R4e R autocorrelation of lag 4 / weighted by atomic Sanderson electronegativities | |
| 1283 R5e R autocorrelation of lag 5 / weighted by atomic Sanderson electronegativities | |
| 1284 R6e R autocorrelation of lag 6 / weighted by atomic Sanderson electronegativities | |
| 1285 R7e R autocorrelation of lag 7 / weighted by atomic Sanderson electronegativities | |
| 1286 R8e R autocorrelation of lag 8 / weighted by atomic Sanderson electronegativities | |
| 1287 RTe R total index / weighted by atomic Sanderson electronegativities | |
| 1288 R1e+ R maximal autocorrelation of lag 1 / weighted by atomic Sanderson electronegativities | |
| 1289 R2e+ R maximal autocorrelation of lag 2 / weighted by atomic Sanderson electronegativities | |
| 1290 R3e+ R maximal autocorrelation of lag 3 / weighted by atomic Sanderson electronegativities | |
| 1291 R4e+ R maximal autocorrelation of lag 4 / weighted by atomic Sanderson electronegativities | |
| 1292 R5e+ R maximal autocorrelation of lag 5 / weighted by atomic Sanderson electronegativities | |
| 1293 R6e+ R maximal autocorrelation of lag 6 / weighted by atomic Sanderson electronegativities | |
| 1294 R7e+ R maximal autocorrelation of lag 7 / weighted by atomic Sanderson electronegativities | |
| 1295 R8e+ R maximal autocorrelation of lag 8 / weighted by atomic Sanderson electronegativities | |
| 1296 RTe+ R maximal index / weighted by atomic Sanderson electronegativities | |
| 1297 R1p R autocorrelation of lag 1 / weighted by atomic polarizabilities | |
| 1298 R2p R autocorrelation of lag 2 / weighted by atomic polarizabilities | |
| 1299 R3p R autocorrelation of lag 3 / weighted by atomic polarizabilities | |
| 1300 R4p R autocorrelation of lag 4 / weighted by atomic polarizabilities | |
| 1301 R5p R autocorrelation of lag 5 / weighted by atomic polarizabilities | |
| 1302 R6p R autocorrelation of lag 6 / weighted by atomic polarizabilities | |
| 1303 R7p R autocorrelation of lag 7 / weighted by atomic polarizabilities | |
| 1304 R8p R autocorrelation of lag 8 / weighted by atomic polarizabilities | |
| 1305 RTp R total index / weighted by atomic polarizabilities | |
| 1306 R1p+ R maximal autocorrelation of lag 1 / weighted by atomic polarizabilities | |
| 1307 R2p+ R maximal autocorrelation of lag 2 / weighted by atomic polarizabilities | |
| 1308 R3p+ R maximal autocorrelation of lag 3 / weighted by atomic polarizabilities | |
| 1309 R4p+ R maximal autocorrelation of lag 4 / weighted by atomic polarizabilities | |
| 1310 R5p+ R maximal autocorrelation of lag 5 / weighted by atomic polarizabilities | |
| 1311 R6p+ R maximal autocorrelation of lag 6 / weighted by atomic polarizabilities | |
| 1312 R7p+ R maximal autocorrelation of lag 7 / weighted by atomic polarizabilities | |
| 1313 R8p+ R maximal autocorrelation of lag 8 / weighted by atomic polarizabilities | |
| 1314 RTp+ R maximal index / weighted by atomic polarizabilities | |
| 1315 nCp number of terminal primary C(sp3) Y = any terminal atom or heteroaromatic group (i.e. H, X, OH, NH2, etc.) | |
| 1316 nCs number of total secondary C(sp3) Y = H or any heteroatom | |
| 1317 nCt number of total tertiary C(sp3) Y = H or any heteroatom | |
| 1318 nCq number of total quaternary C(sp3) | |
| 1319 nCrs number of ring secondary C(sp3) Y = H or any heteroatom | |
| 1320 nCrt number of ring tertiary C(sp3) Y = H or any heteroatom | |
| 1321 nCrq number of ring quaternary C(sp3) | |
| 1322 nCar number of aromatic C(sp2) | |
| 1323 nCbH number of unsubstituted benzene C(sp2) | |
| 1324 nCb– number of substituted benzene C(sp2) Y = carbon or any heteroatom | |
| 1325 nCconj number of non-aromatic conjugated C(sp2) | |
| 1326 nR=Cp number of terminal primary C(sp2) Y = any terminal atom or heteroaromatic group (i.e. H, X, OH, NH2, etc.) | |
| 1327 nR=Cs number of aliphatic secondary C(sp2) Y = H or any heteroatom | |
| 1328 nR=Ct number of aliphatic tertiary C(sp2) | |
| 1329 n=C= number of allenes groups | |
| 1330 nR#CH/X number of terminal C(sp) Y = any terminal atom or heteroaromatic group (i.e. H, X, OH, NH2, etc.) | |
| 1331 nR#C– number of non-terminal C(sp) Y = C or any non-terminal heteroatom | |
| 1332 nROCN number of cyanates (aliphatic) | |
| 1333 nArOCN number of cyanates (aromatic) | |
| 1334 nRNCO number of isocyanates (aliphatic) | |
| 1335 nArNCO number of isocyanates (aromatic) | |
| 1336 nRSCN number of thiocyanates (aliphatic) | |
| 1337 nArSCN number of thiocyanates (aromatic) | |
| 1338 nRNCS number of isothiocyanates (aliphatic) | |
| 1339 nArNCS number of isothiocyanates (aromatic) | |
| 1340 nRCOOH number of carboxylic acids (aliphatic) | |
| 1341 nArCOOH number of carboxylic acids (aromatic) | |
| 1342 nRCOOR number of esters (aliphatic) Y = Ar or Al (not H) Al = H or aliphatic group linked through C | |
| 1343 nArCOOR number of esters (aromatic) Y = Al or Ar | |
| 1344 nRCONH2 number of primary amides (aliphatic) Al = H or aliphatic group linked through C | |
| 1345 nArCONH2 number of primary amides (aromatic) | |
| 1346 nRCONHR number of secondary amides (aliphatic) Y = Ar or Al (not H, not C = O) Al = H or aliphatic group linked through C | |
| 1347 nArCONHR number of secondary amides (aromatic) Y = Ar or Al (not H, not C = O) | |
| 1348 nRCONR2 number of tertiary amides (aliphatic) Y = Ar or Al (not H, not C = O) Al = H or aliphatic group linked through C | |
| 1349 nArCONR2 number of tertiary amides (aromatic) Y = Ar or Al (not H, not C = O) | |
| 1350 nROCON number of (thio-) carbamates (aliphatic) Y = O or S Al = H or aliphatic group linked through any atom | |
| 1351 nArOCON number of (thio-) carbamates (aromatic) Y1 = O or S Y2 = H or aliphatic or aromatic group linked through any atom Ar = aromatic group linked through any atom | |
| 1352 nRCOX number of acyl halogenides (aliphatic) | |
| 1353 nArCOX number of acyl halogenides (aromatic) | |
| 1354 nRCSOH number of thioacids (aliphatic) | |
| 1355 nArCSOH number of thioacids (aromatic) | |
| 1356 nRCSSH number of dithioacids (aliphatic) | |
| 1357 nArCSSH number of dithioacids (aromatic) | |
| 1358 nRCOSR number of thioesters (aliphatic) Y = Ar or Al (not H) Al = H or aliphatic group linked through C | |
| 1359 nArCOSR number of thioesters (aromatic) | |
| 1360 nRCSSR number of dithioesters (aliphatic) Y = Ar or Al (not H) Al = H or aliphatic group linked through C | |
| 1361 nArCSSR number of dithioesters (aromatic) Y = Ar or Al (not H) | |
| 1362 nRCHO number of aldehydes (aliphatic) | |
| 1363 nArCHO number of aldehydes (aromatic) | |
| 1364 nRCO number of ketones (aliphatic) | |
| 1365 nArCO number of ketones (aromatic) Y = Al or Ar | |
| 1366 nCONN number of urea (-thio) derivatives Y = O or S | |
| 1367 nC=O(OR)2 number of carbonate (-thio) derivatives Y = O or S | |
| 1368 nN=C-N< number of amidine derivatives Y = C or H | |
| 1369 nC(=N)N2 number of guanidine derivatives | |
| 1370 nRC=N number of imines (aliphatic) Y = H,C or N (two-connected) Al = H or aliphatic group linked through C | |
| 1371 nArC=N number of imines (aromatic) Y = H,C or N (two-connected) | |
| 1372 nRCNO number of oximes (aliphatic) Y = H, Ar or Al | |
| 1373 nArCNO number of oximes (aromatic) Y = H, Ar or Al | |
| 1374 nRNH2 number of primary amines (aliphatic) Al = aliphatic group linked through C (not C = O) | |
| 1375 nArNH2 number of primary amines (aromatic) | |
| 1376 nRNHR number of secondary amines (aliphatic) Al = aliphatic group linked through C (not C = O) | |
| 1377 nArNHR number of secondary amines (aromatic) Y = Ar or Al (not C = O) | |
| 1378 nRNR2 number of tertiary amines (aliphatic) Al = aliphatic group linked through C (not C = O) | |
| 1379 nArNR2 number of tertiary amines (aromatic) Y = Ar or Al (not C = O) | |
| 1380 nN-N number of N hydrazines Y = C or H | |
| 1381 nN=N number of N azo-derivatives Y = C or H | |
| 1382 nRCN number of nitriles (aliphatic) | |
| 1383 nArCN number of nitriles (aromatic) | |
| 1384 nN+ number of positive charged N | |
| 1385 nNq number of quaternary N | |
| 1386 nRNHO number of hydroxylamines (aliphatic) Y = H, Al or Ar | |
| 1387 nArNHO number of hydroxylamines (aromatic) Y = H, Al or Ar | |
| 1388 nRNNOx number of N-nitroso groups (aliphatic) Al = H or aliphatic group linked through C | |
| 1389 nArNNOx number of N-nitroso groups (aromatic) Y = H, Al or Ar | |
| 1390 nRNO number of nitroso groups (aliphatic) | |
| 1391 nArNO number of nitroso groups (aromatic) | |
| 1392 nRNO2 number of nitro groups (aliphatic) Al = H or aliphatic group linked through carbon | |
| 1393 nArNO2 number of nitro groups (aromatic) Al = aromatic group linked through carbon | |
| 1394 nN(CO)2 number of imides (thio-) Y = H or C Y1 = O or S | |
| 1395 nC=N-N< number of hydrazones Y = C or H | |
| 1396 nROH number of hydroxyl groups Al = aliphatic group linked through any atom | |
| 1397 nArOH number of aromatic hydroxyls Ar = aromatic group linked through any atom | |
| 1398 nOHp number of primary alcohols | |
| 1399 nOHs number of secondary alcohols | |
| 1400 nOHt number of tertiary alcohols | |
| 1401 nROR number of ethers (aliphatic) Al = aliphatic group linked through C (not C = O, not C # N) | |
| 1402 nArOR number of ethers (aromatic) Y = Ar or Al (not C = O, not C # N) | |
| 1403 nROX number of hypohalogenides (aliphatic) | |
| 1404 nArOX number of hypohalogenides (aromatic) | |
| 1405 nO(C=O)2 number of anhydrides (thio-) Y = O or S | |
| 1406 nH2O number of water molecules | |
| 1407 nSH number of thiols | |
| 1408 nC=S number of thioketones | |
| 1409 nRSR number of sulfides | |
| 1410 nRSSR number of disulfides | |
| 1411 nSO number of sulfoxides | |
| 1412 nS(=O)2 number of sulfones | |
| 1413 nSOH number of sulfenic (thio-) acids Y = O or S | |
| 1414 nSOOH number of sulfinic (thio-/dithio-)acids Y = O or S | |
| 1415 nSO2OH number of sulfonic (thio-/dithio-) acids Y = O or S | |
| 1416 nSO3OH number of sulfuric (thio-/dithio-) acids Y = O or S | |
| 1417 nSO2 number of sulfites (thio-/ dithio-) Y = O or S | |
| 1418 nSO3 number of sulfonates (thio- / dithio-) Y = O or S | |
| 1419 nSO4 number of sulfates (thio- / dithio-) Y = O or S | |
| 1420 nSO2N number of sulfonamides / sulfinamides / sulfenamides (thio- / dithio-) | |
| 1421 nPO3 number of phosphites / thiophosphites Y = O or S | |
| 1422 nPO4 number of phosphates / thiophosphates Y = O or S | |
| 1423 nPR3 number of phosphanes Y = H, C, halogens | |
| 1424 nP(=O)O2R number of phosphonates / thiophosphonates Y = O or S Y1 = H, C, halogens | |
| 1425 nP(=O)R3/nPR5 number of phosphoranes / thiophosphoranes Y = O or S | |
| 1426 nCH2RX number of CH2RX | |
| 1427 nCHR2X number of CHR2X | |
| 1428 nCR3X number of CR3X | |
| 1429 nR=CHX number of R=CHX | |
| 1430 nR=CRX number of R=CRX | |
| 1431 nR#CX number of R#CX | |
| 1432 nCHRX2 number of CHRX2 | |
| 1433 nCR2X2 number of CR2X2 | |
| 1434 nR=CX2 number of R=CX2 | |
| 1435 nCRX3 number of CRX3 | |
| 1436 nArX number of X on aromatic ring | |
| 1437 nCXr number of X on ring C(sp3) | |
| 1438 nCXr= number of X on ring C(sp2) | |
| 1439 nCconjX number of X on exo-conjugated C | |
| 1440 nAziridines number of Aziridines | |
| 1441 nOxiranes number of Oxiranes | |
| 1442 nThiranes number of Thiranes | |
| 1443 nAzetidines number of Azetidines | |
| 1444 nOxetanes number of Oxetanes | |
| 1445 nThioethanes number of Thioethanes | |
| 1446 nBeta-Lactams number of Beta-Lactams | |
| 1447 nPyrrolidines number of Pyrrolidines | |
| 1448 nOxolanes number of Oxolanes | |
| 1449 nth-Thiophenes number of tetrahydro-Thiophenes | |
| 1450 nPyrroles number of Pyrroles | |
| 1451 nPyrazoles number of Pyrazoles | |
| 1452 nImidazoles number of Imidazoles | |
| 1453 nFuranes number of Furanes | |
| 1454 nThiophenes number of Thiophenes | |
| 1455 nOxazoles number of Oxazoles | |
| 1456 nIsoxazoles number of Isoxazoles | |
| 1457 nThiazoles number of Thiazoles | |
| 1458 nIsothiazoles number of Isothiazoles | |
| 1459 nTriazoles number of Triazoles | |
| 1460 nPyridines number of Pyridines | |
| 1461 nPyridazines number of Pyridazines | |
| 1462 nPyrimidines number of Pyrimidines | |
| 1463 nPyrazines number of Pyrazines | |
| 1464 n135-Triazines number of 135-Triazines | |
| 1465 n124-Triazines number of 124-Triazines | |
| 1466 nHDon number of donor atoms for H-bonds (N and O) | |
| 1467 nHAcc number of acceptor atoms for H-bonds (N, O, F) | |
| 1468 nHBonds number of intramolecular H-bonds Y1 = B, N, O, Al, P, S Y2 = N, O, F The geometric distance between H and Y2 must be in the range 1 - 2,7 A. | |
| 1469 C-001 CH3R / CH4 | |
| 1470 C-002 CH2R2 | |
| 1471 C-003 CHR3 | |
| 1472 C-004 CR4 | |
| 1473 C-005 CH3X | |
| 1474 C-006 CH2RX | |
| 1475 C-007 CH2X2 | |
| 1476 C-008 CHR2X | |
| 1477 C-009 CHRX2 | |
| 1478 C-010 CHX3 | |
| 1479 C-011 CR3X | |
| 1480 C-012 CR2X2 | |
| 1481 C-013 CRX3 | |
| 1482 C-014 CX4 | |
| 1483 C-015 =CH2 | |
| 1484 C-016 =CHR | |
| 1485 C-017 =CR2 | |
| 1486 C-018 =CHX | |
| 1487 C-019 =CRX | |
| 1488 C-020 =CX2 | |
| 1489 C-021 #CH | |
| 1490 C-022 #CR / R=C=R | |
| 1491 C-023 #CX | |
| 1492 C-024 R--CH--R | |
| 1493 C-025 R--CR--R | |
| 1494 C-026 R--CX--R | |
| 1495 C-027 R--CH--X | |
| 1496 C-028 R--CR--X | |
| 1497 C-029 R--CX--X | |
| 1498 C-030 X--CH--X | |
| 1499 C-031 X--CR--X | |
| 1500 C-032 X--CX--X | |
| 1501 C-033 R--CH..X | |
| 1502 C-034 R--CR..X | |
| 1503 C-035 R--CX..X | |
| 1504 C-036 Al-CH=X | |
| 1505 C-037 Ar-CH=X | |
| 1506 C-038 Al-C(=X)-Al | |
| 1507 C-039 Ar-C(=X)-R | |
| 1508 C-040 R-C(=X)-X / R-C#X / X=C=X | |
| 1509 C-041 X-C(=X)-X | |
| 1510 C-042 X--CH..X | |
| 1511 C-043 X--CR..X | |
| 1512 C-044 X--CX..X | |
| 1513 U-045 undefined | |
| 1514 H-046 Ha attached to C0(sp3) no X attached to next C | |
| 1515 H-047 Ha attached to C1(sp3) / C0(sp2) | |
| 1516 H-048 Ha attached to C2(sp3) / C1(sp2) / C0(sp) | |
| 1517 H-049 Ha attached to C3(sp3) / C2(sp2) / C3(sp2) / C3(sp) | |
| 1518 H-050 H attached to heteroatom | |
| 1519 H-051 H attached to alpha-Cb | |
| 1520 H-052 Ha attached to C0(sp3) with 1X attached to next C | |
| 1521 H-053 Ha attached to C0(sp3) with 2X attached to next C | |
| 1522 H-054 Ha attached to C0(sp3) with 3X attached to next C | |
| 1523 H-055 Ha attached to C0(sp3) with 4X attached to next C | |
| 1524 O-056 alcohol | |
| 1525 O-057 phenol / enol / carboxyl OH | |
| 1526 O-058 =O | |
| 1527 O-059 Al-O-Al | |
| 1528 O-060 Al-O-Ar / Ar-O-Ar / R..O..R / R-O-C=X | |
| 1529 O-061 O-- c | |
| 1530 O-062 O- (negatively charged) | |
| 1531 O-063 R-O-O-R | |
| 1532 Se-064 Any-Se-Any | |
| 1533 Se-065 =Se | |
| 1534 N-066 Al-NH2 | |
| 1535 N-067 Al2-NH | |
| 1536 N-068 Al3-N | |
| 1537 N-069 Ar-NH2 / X-NH2 | |
| 1538 N-070 Ar-NH-Al | |
| 1539 N-071 Ar-NAl2 | |
| 1540 N-072 RCO-N< / >N-X=X | |
| 1541 N-073 Ar2NH / Ar3N / Ar2N-Al / R..N..Rd | |
| 1542 N-074 R#N / R=N- | |
| 1543 N-075 R--N--Re / R--N--X | |
| 1544 N-076 Ar-NO2 / R--N(--R)--Of / RO-NO | |
| 1545 N-077 Al-NO2 | |
| 1546 N-078 Ar-N=X / X-N=X | |
| 1547 N-079 N+ (positively charged) | |
| 1548 U-080 undefined | |
| 1549 F-081 Fa attached to C1(sp3) | |
| 1550 F-082 Fa attached to C2(sp3) | |
| 1551 F-083 Fa attached to C3(sp3) | |
| 1552 F-084 Fa attached to C1(sp2) | |
| 1553 F-085 Fa attached to C2(sp2)-C4(sp2) / C1(sp) / C4(sp3) / X | |
| 1554 Cl-086 Cla attached to C1(sp3) | |
| 1555 Cl-087 Cla attached to C2(sp3) | |
| 1556 Cl-088 Cla attached to C3(sp3) | |
| 1557 Cl-089 Cla attached to C1(sp2) | |
| 1558 Cl-090 Cla attached to C2(sp2)-C4(sp2) / C1(sp) / C4(sp3) / X | |
| 1559 Br-091 Bra attached to C1(sp3) | |
| 1560 Br-092 Bra attached to C2(sp3) | |
| 1561 Br-093 Bra attached to C3(sp3) | |
| 1562 Br-094 Bra attached to C1(sp2) | |
| 1563 Br-095 Bra attached to C2(sp2)-C4(sp2) / C1(sp) / C4(sp3) / X | |
| 1564 I-096 Ia attached to C1(sp3) | |
| 1565 I-097 Ia attached to C2(sp3) | |
| 1566 I-098 Ia attached to C3(sp3) | |
| 1567 I-099 Ia attached to C1(sp2) | |
| 1568 I-100 Ia attached to C2(sp2)-C4(sp2) / C1(sp) / C4(sp3) / X | |
| 1569 F-101 fluoride ion | |
| 1570 Cl-102 chloride ion | |
| 1571 Br-103 bromide ion | |
| 1572 I-104 iodide ion | |
| 1573 U-105 undefined | |
| 1574 S-106 R-SH | |
| 1575 S-107 R2S / RS-SR | |
| 1576 S-108 R=S | |
| 1577 S-109 R-SO-R | |
| 1578 S-110 R-SO2-R | |
| 1579 Si-111 >Si< | |
| 1580 B-112 >B- as in boranes | |
| 1581 U-113 undefined | |
| 1582 U-114 undefined | |
| 1583 P-115 P ylids | |
| 1584 P-116 R3-P=X | |
| 1585 P-117 X3-P=X (phosphate) | |
| 1586 P-118 PX3 (phosphite) | |
| 1587 P-119 PR3 (phosphine) | |
| 1588 P-120 C-P(X)2=X (phosphonate) | |
| 1589 qpmax maximum positive charge | |
| 1590 qnmax maximum negative charge | |
| 1591 Qpos total positive charge | |
| 1592 Qneg total negative charge | |
| 1593 Qtot total absolute charge (electronic charge index - ECI) | |
| 1594 Qmean mean absolute charge (charge polarization) | |
| 1595 Q2 total squared charge | |
| 1596 RPCG relative positive charge | |
| 1597 RNCG relative negative charge | |
| 1598 SPP submolecular polarity parameter | |
| 1599 TE1 topological electronic descriptor | |
| 1600 TE2 topological electronic descriptor (bond resctricted) | |
| 1601 PCWTe partial charge weighted topological electronic descriptor | |
| 1602 LDI local dipole index | |
| 1603 Ui unsaturation index | |
| 1604 Hy hydrophilic factor | |
| 1605 AMR molar refractivity | |
| 1606 TPSA(NO) topological polar surface area using N, O polar contributions | |
| 1607 TPSA(tot) topological polar surface area using N, O, S, P polar contributions | |
| 1608 MLogP Moriguchi octanol-water partition coefficient | |
| 1609 MLOGP2 Squared Moriguchi octanol-water partition coeff. (logP^2) | |
| 1610 ALOGP Ghose-Crippen octanol-water partition coeff. (logP) | |
| 1611 ALOGP2 Squared Ghose-Crippen octanol-water partition coeff. (logP^2) | |
| 1612 LAI Lipinski alert index | |
| 1613 GVWAI-80 Ghose-Viswanadhan-Wendoloski drug-like index at 80% | |
| 1614 GVWAI-50 Ghose-Viswanadhan-Wendoloski drug-like index at 50% | |
| 1615 Inflammat-80 Ghose-Viswanadhan-Wendoloski antiinflammatory-like index at 80% | |
| 1616 Inflammat-50 Ghose-Viswanadhan-Wendoloski antiinflammatory-like index at 50% | |
| 1617 Depressant-80 Ghose-Viswanadhan-Wendoloski antidepressant-like index at 80% | |
| 1618 Depressant-50 Ghose-Viswanadhan-Wendoloski antidepressant-like index at 50% | |
| 1619 Psychotic-80 Ghose-Viswanadhan-Wendoloski antipsychotic-like index at 80% | |
| 1620 Psychotic-50 Ghose-Viswanadhan-Wendoloski antipsychotic-like index at 50% | |
| 1621 Hypertens-80 Ghose-Viswanadhan-Wendoloski antihypertensive-like index at 80% | |
| 1622 Hypertens-50 Ghose-Viswanadhan-Wendoloski antihypertensive-like index at 50% | |
| 1623 Hypnotic-80 Ghose-Viswanadhan-Wendoloski hypnotic-like index at 80% | |
| 1624 Hypnotic-50 Ghose-Viswanadhan-Wendoloski hypnotic-like index at 50% | |
| 1625 Neoplastic-80 Ghose-Viswanadhan-Wendoloski antineoplastic-like index at 80% | |
| 1626 Neoplastic-50 Ghose-Viswanadhan-Wendoloski antineoplastic-like index at 50% | |
| 1627 Infective-80 Ghose-Viswanadhan-Wendoloski antiinfective-like index at 80% | |
| 1628 Infective-50 Ghose-Viswanadhan-Wendoloski antiinfective-like index at 50% | |
| 1629 BLTF96 Verhaar model of Fish base-line toxicity for Fish (96h) from MLOGP (mmol/l) | |
| 1630 BLTD48 Verhaar model of Daphnia base-line toxicity for Daphnia (48h) from MLOGP (mmol/l) | |
| 1631 BLTA96 Verhaar model of Algae base-line toxicity for Algae (96h) from MLOGP (mmol/l) | |
| 1632 B01[C-C] presence/absence of C-C at topological distance 1 | |
| 1633 B01[C-N] presence/absence of C-N at topological distance 1 | |
| 1634 B01[C-O] presence/absence of C-O at topological distance 1 | |
| 1635 B01[C-S] presence/absence of C-S at topological distance 1 | |
| 1636 B01[C-P] presence/absence of C-P at topological distance 1 | |
| 1637 B01[C-F] presence/absence of C-F at topological distance 1 | |
| 1638 B01[C-Cl] presence/absence of C-Cl at topological distance 1 | |
| 1639 B01[C-Br] presence/absence of C-Br at topological distance 1 | |
| 1640 B01[C-I] presence/absence of C-I at topological distance 1 | |
| 1641 B01[C-B] presence/absence of C-B at topological distance 1 | |
| 1642 B01[C-Si] presence/absence of C-Si at topological distance 1 | |
| 1643 B01[C-X] presence/absence of C-X at topological distance 1 | |
| 1644 B01[N-N] presence/absence of N-N at topological distance 1 | |
| 1645 B01[N-O] presence/absence of N-O at topological distance 1 | |
| 1646 ......... .......................................................... | |
| 1647 B10[Si-X] presence/absence of Si-X at topological distance 10 | |
| 1648 B10[X-X] presence/absence of X-X at topological distance 10 | |
| 1649 F01[C-C] frequency of C-C at topological distance 1 | |
| 1650 F01[C-N] frequency of C-N at topological distance 1 | |
| 1651 F01[C-O] frequency of C-O at topological distance 1 | |
| 1652 F01[C-S] frequency of C-S at topological distance 1 | |
| 1653 F01[C-P] frequency of C-P at topological distance 1 | |
| 1654 F01[C-F] frequency of C-F at topological distance 1 | |
| 1655 F01[C-Cl] frequency of C-Cl at topological distance 1 | |
| 1656 F01[C-Br] frequency of C-Br at topological distance 1 | |
| 1657 F01[C-I] frequency of C-I at topological distance 1 | |
| 1658 F01[C-B] frequency of C-B at topological distance 1 | |
| 1659 F01[C-Si] frequency of C-Si at topological distance 1 | |
| 1660 F01[C-X] frequency of C-X at topological distance 1 | |
| 1661 F01[N-N] frequency of N-N at topological distance 1 | |
| 1662 F01[N-O] frequency of N-O at topological distance 1 | |
| 1663 ......... .......................................................... | |
| 1664 F10[Si-X] frequency of Si-X at topological distance 10 | |
| 1665 F10[X-X] frequency of X-X at topological distance 10 |