Uses of Class
biotransformer.fingerprint.SFingerprint
-
Packages that use SFingerprint Package Description biotransformer.fingerprint -
-
Uses of SFingerprint in biotransformer.fingerprint
Methods in biotransformer.fingerprint that return SFingerprint Modifier and Type Method Description SFingerprint
ChemStructureFingerprinter. generateClassyfireCountFingerprintAsDouble(org.openscience.cdk.interfaces.IAtomContainer molecule, java.util.LinkedHashMap<java.lang.String,java.lang.String> queries)
SFingerprint
ChemStructureFingerprinter. generateClassyfireFingerprintAsDouble(org.openscience.cdk.interfaces.IAtomContainer molecule, java.util.LinkedHashMap<java.lang.String,java.lang.String> queries)
This function generates a unique fingerprint for a molecule.SFingerprint
ChemStructureFingerprinter. generateClassyfireRinFingerprintAsDouble(org.openscience.cdk.interfaces.IAtomContainer molecule)
-