API Reference
chemicalchecker
chemicalchecker.core
chemicalchecker.database
chemicalchecker.tool
chemicalchecker.tool.adanet
chemicalchecker.tool.hotnet
chemicalchecker.tool.node2vec
chemicalchecker.tool.siamese
chemicalchecker.tool.smilespred
chemicalchecker.tool.targetmate
chemicalchecker.util
Contents:
Chemical Checker Manifesto
Datasets
Signaturization
chemicalchecker
chemicalchecker
chemicalchecker.tool
chemicalchecker.tool.targetmate
chemicalchecker.tool.targetmate.io
chemicalchecker.tool.targetmate.io.reassemble_activity_sets
View page source
chemicalchecker.tool.targetmate.io.reassemble_activity_sets
reassemble_activity_sets
(
act
,
inact
,
putinact
,
valid_inchikeys
=
None
,
inchi
=
False
)
[source]
Reassemble activity sets, relevant when sampling from Universe