rdkit.Chem.MolDb.FingerprintUtils module — The RDKit 2025.09.6 documentation

# rdkit.Chem.MolDb.FingerprintUtils module

rdkit.Chem.MolDb.FingerprintUtils.BuildAtomPairFP(mol)

rdkit.Chem.MolDb.FingerprintUtils.BuildAvalonFP(mol, smiles=None)

rdkit.Chem.MolDb.FingerprintUtils.BuildMorganFP(mol)

rdkit.Chem.MolDb.FingerprintUtils.BuildPharm2DFP(mol)

rdkit.Chem.MolDb.FingerprintUtils.BuildRDKitFP(mol)

rdkit.Chem.MolDb.FingerprintUtils.BuildSigFactory(options=None, fdefFile=None, bins=[(2, 3), (3, 4), (4, 5), (5, 6), (6, 7), (7, 8), (8, 100)], skipFeats=('LumpedHydrophobe', 'ZnBinder'))

rdkit.Chem.MolDb.FingerprintUtils.BuildTorsionsFP(mol)

rdkit.Chem.MolDb.FingerprintUtils.DepickleFP(pkl, similarityMethod)

class rdkit.Chem.MolDb.FingerprintUtils.LayeredOptions

  Bases: `object`

  static GetFingerprint(mol, query=True)
  static GetQueryText(mol, query=True)
  static GetWords(mol, query=True)
  fpSize = 1024
  loadLayerFlags = 4294967295
  maxPath = 6
  minPath = 1
  nWords = 32
  searchLayerFlags = 7
  wordSize = 32