Mercurial > repos > bgruening > simsearch

annotate test-data/simsearch_on_tragets_and_q.tabular @ 1:0892f7ced10c draft

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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/simsearch commit d786052cd04f8b25eb4aff80b1b9724f62031b61
author bgruening
date Sat, 20 May 2017 13:06:07 -0400
parents 52e5c0f2907f
children 497254c6c09e
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1 #Simsearch/1
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2 #num_bits=881
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0892f7ced10c planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/simsearch commit d786052cd04f8b25eb4aff80b1b9724f62031b61
bgruening
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3 #type=Tanimoto k=all threshold=0.7
0892f7ced10c planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/simsearch commit d786052cd04f8b25eb4aff80b1b9724f62031b61
bgruening
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4 #software=chemfp/1.1p1
0892f7ced10c planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/simsearch commit d786052cd04f8b25eb4aff80b1b9724f62031b61
bgruening
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5 #queries=./query.fps
0892f7ced10c planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/simsearch commit d786052cd04f8b25eb4aff80b1b9724f62031b61
bgruening
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6 #targets=./targets.fps
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7 #query_sources=CID_28434379.sdf
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8 #target_sources=Desktop/3579363516810334491.sdf
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0892f7ced10c planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/simsearch commit d786052cd04f8b25eb4aff80b1b9724f62031b61
bgruening
parents: 0
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9 13 28434379 6499094 0.9615 6485578 0.9679 55079807 0.9313 3153534 0.9557 55102353 0.9682 55091466 0.9682 55091416 0.9682 6485577 0.9497 55169009 0.9560 55091752 0.9684 55091467 0.9623 55168823 0.9563 55091849 0.9563