drugforge.data.backend.openeye.oe_smiles_roundtrip

drugforge.data.backend.openeye.oe_smiles_roundtrip(smiles: str) → str

Canonical SMILES string of an OpenEye OEMol

Paramers

mol: oechem.OEMol

OpenEye OEMol

returns:

SMILES string of molecule

rtype:

str