rxn.chemutils.utils.remove_atom_mapping

rxn.chemutils.utils.remove_atom_mapping(smiles)[source]

Remove the atom mapping of a reaction SMILES.

The resulting SMILES strings will still contain brackets and it may be advisable to canonicalize them or clean them up as a postprocessing step.

Parameters: smiles (str) – SMILES string potentially containing mapping information.
Return type: str
Returns: A SMILES string without atom mapping information.