rdkit.Chem.EState.Fingerprinter module — The RDKit 2025.09.6 documentation

# rdkit.Chem.EState.Fingerprinter module

EState fingerprinting

rdkit.Chem.EState.Fingerprinter.FingerprintMol(mol)

  generates the EState fingerprints for the molecule

  Concept from the paper: Hall and Kier JCICS _35_ 1039-1045 (1995)

  two numeric arrays are returned:

    The first (of ints) contains the number of times each possible atom type is hit The second (of floats) contains the sum of the EState indices for atoms of

    > each type.