rxn.reaction_preprocessing.molecule_standardizer

Classes

MoleculeStandardizer([annotations, ...])

Class to standardize standalone molecules (reactions are standardized with the Standardizer class).

Exceptions

MissingAnnotation(smiles)

Exception raised when standardizing a molecule that should be annotated.

MoleculeStandardizationError

Base class for standardization exceptions.

RejectedMolecule(smiles)

Exception raised when standardizing a molecule annotated as "Rejected".