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.smilespred
chemicalchecker.tool.smilespred.apppred
chemicalchecker.tool.smilespred.apppred.ApplicabilityPredictor
View page source
chemicalchecker.tool.smilespred.apppred.ApplicabilityPredictor
class
ApplicabilityPredictor
(
model_dir
,
sign0
=
[]
,
applicability
=
[]
,
evaluate
=
False
,
save_params
=
True
,
**
kwargs
)
[source]
Bases:
object
Methods
build_model
evaluate
fit
predict