chem.check_missing_stereochemistry() – smartclass | smartclass

chem.check_missing_stereochemistry()

Check stereochemistry.

Usage

chem.check_missing_stereochemistry(
    smiles,
    use_legacy=False,
)

Parameters

smiles: str: SMILES.
use_legacy: bool = False: False. Default is False.

Returns

bool | None: True if stereochemistry is ambiguous (multiple possible stereoisomers), False if fully defined, or None if the SMILES could not be parsed.