Interface | Description |
---|---|
ISparseFingerprint<T> |
Class | Description |
---|---|
CircularFingerprintInterpretable | |
EStateFingerprinterWrapper |
Wrapper for
EStateFingerprinter , implementing IMolecularDescriptor |
ExtendedFingerprinterWrapper | |
Fingerprint2DescriptorWrapper | |
HybridizationFingerprinterWrapper |
Wrapper for
HybridizationFingerprinter , implementing IMolecularDescriptor |
KlekotaRothFingerprinterWrapper | |
MACCSFingerprinterWrapper |
Wrapper for
MACCSFingerprinter , implementing IMolecularDescriptor |
PubChemFingerprinter |
Generates a Pubchem fingerprint for a molecule.
|
PubChemFingerprinterAmbitSmarts |
Reimplemented org.openscience.cdk.fingerprint.PubchemFingerprinter for
performance reasons
|
PubChemFingerprinterWrapper |
Wrapper for
PubchemFingerprinter , implementing IMolecularDescriptor |
SubstructureFingerprinterWrapper |
Wrapper for
SubstructureFingerprinter , implementing IMolecularDescriptor |
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