chemaxon.standardizer.standardizer

class Standardizer:
Standardizer(config)
config: str
def standardize(self, mol: chemaxon.molecule.Molecule) -> chemaxon.molecule.Molecule:

Molecule standardization

More information about molecule standarization: https://docs.chemaxon.com/display/docs/standardizer_working-with-standardizer.md

Parameters

mol : str Input molecule string.

Raises

RuntimeError If the molecule contains more than 500 atoms / bonds.

Returns

molecule : Molecule The standardized molecule.