============ Fingerprints ============ Classes for computing molecular fingerprints. .. automodule:: skfp.fingerprints ========================================================= .. py:currentmodule:: skfp.fingerprints .. autosummary:: :nosignatures: :toctree: generated/ AtomPairFingerprint AutocorrFingerprint AvalonFingerprint BCUT2DFingerprint E3FPFingerprint ECFPFingerprint ElectroShapeFingerprint ERGFingerprint EStateFingerprint FunctionalGroupsFingerprint GETAWAYFingerprint GhoseCrippenFingerprint KlekotaRothFingerprint LaggnerFingerprint LayeredFingerprint LingoFingerprint MACCSFingerprint MAPFingerprint MHFPFingerprint MordredFingerprint MORSEFingerprint MQNsFingerprint PatternFingerprint PharmacophoreFingerprint PhysiochemicalPropertiesFingerprint PubChemFingerprint RDFFingerprint RDKitFingerprint RDKit2DDescriptorsFingerprint SECFPFingerprint TopologicalTorsionFingerprint USRFingerprint USRCATFingerprint VSAFingerprint WHIMFingerprint