rdkit.Chem.MolDb.FingerprintUtils module — The RDKit 2016.09.1 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