rdkit.Chem.FunctionalGroups module — The RDKit 2025.09.6 documentation

# rdkit.Chem.FunctionalGroups module

rdkit.Chem.FunctionalGroups.BuildFuncGroupHierarchy(fileNm=None, data=None, force=False)

rdkit.Chem.FunctionalGroups.CreateMolFingerprint(mol, hierarchy)

class rdkit.Chem.FunctionalGroups.FGHierarchyNode(name, patt, smarts='', label='', rxnSmarts='', parent=None)

  Bases: `object`

  children = None
  label = ''
  name = ''
  parent = None
  pattern = None
  removalReaction = None
  rxnSmarts = ''
  smarts = ''

exception rdkit.Chem.FunctionalGroups.FuncGroupFileParseError

  Bases: `ValueError`