rxn.chemutils.miscellaneous.remove_double_bond_stereochemistry
- rxn.chemutils.miscellaneous.remove_double_bond_stereochemistry(smiles)[source]
Return SMILES where all the E/Z information on double bonds is removed.
- Parameters
smiles (
str) – SMILES string.- Return type
str- Returns
SMILES with no sterochemical information for double bonds. The SMILES is not guaranteed to be canonical.