Mercurial > repos > bgruening > simsearch
comparison test-data/simsearch_on_tragets_and_q.tabular @ 3:9f1a8df0b437 draft
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/simsearch commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0"
| author | bgruening |
|---|---|
| date | Tue, 28 Jul 2020 08:47:23 -0400 |
| parents | 497254c6c09e |
| children | 425469deb136 |
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| 2:497254c6c09e | 3:9f1a8df0b437 |
|---|---|
| 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/1.5 | 4 #software=chemfp/1.6 |
| 5 #queries=./query.fps | 5 #queries=./query.fps |
| 6 #targets=./targets.fps | 6 #targets=./targets.fps |
| 7 #query_sources=CID_28434379.sdf | 7 #query_source=CID_28434379.sdf |
| 8 #target_sources=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 |