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comparison test-data/simsearch_on_tragets_and_q.tabular @ 4:425469deb136 draft default tip

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/simsearch commit 7fb96a3844b4771084f18de2346ed6d5e241d839"
author bgruening
date Sat, 25 Sep 2021 19:08:19 +0000
parents 9f1a8df0b437
children
comparison
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3:9f1a8df0b437 4:425469deb136
1 #Simsearch/1 1 #Simsearch/1
2 #num_bits=881 2 #num_bits=881
3 #type=Tanimoto k=all threshold=0.7 3 #type=Tanimoto k=all threshold=0.7
4 #software=chemfp/1.6 4 #software=chemfp/1.6.1
5 #queries=./query.fps 5 #queries=./query.fps
6 #targets=./targets.fps 6 #targets=./targets.fps
7 #query_source=CID_28434379.sdf 7 #query_source=CID_28434379.sdf
8 #target_source=Desktop/3579363516810334491.sdf 8 #target_source=Desktop/3579363516810334491.sdf
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 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