chemaxon.standardizer

This package contains functions for molecule standardization.

GitHub examples: https://github.com/ChemAxon/python-examples/blob/main/jupyter/04_standardizer.ipynb

class Standardizer:

Molecule standardizer

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

@typecheck((str, io.IOBase))
Standardizer(config: str | io.IOBase)
config: str | io.IOBase

Configuration string in xml or action string format or a file object of the configuration file.

@typecheck(Molecule)
def standardize(self, mol: chemaxon.Molecule) -> chemaxon.Molecule:

Molecule standardization

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

Parameters
  • mol: str - Input molecule object.
Returns

chemaxon.Molecule - The standardized molecule.