Package | Description |
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org.openscience.cdk.fingerprint |
Modifier and Type | Class and Description |
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class |
KlekotaRothFingerprinter
SMARTS based substructure fingerprint based on Chemical substructures
that enrich for biological activity [Klekota, Justin and Roth, Frederick P., Chemical substructures that enrich for biological activity, Bioinformatics, 2008, 24:2518-2525, doi:10.1093/bioinformatics/btn479].
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