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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
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#Simsearch/1
#num_bits=881
#type=Tanimoto k=all threshold=0.7
#software=chemfp/1.6.1
#queries=./query.fps
#targets=./targets.fps
#query_source=CID_28434379.sdf
#target_source=Desktop/3579363516810334491.sdf
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