poli.core.util.chemistry.string_to_molecule.smiles_to_molecules

poli.core.util.chemistry.string_to_molecule.smiles_to_molecules#

poli.core.util.chemistry.string_to_molecule.smiles_to_molecules(smiles_strings: List[str], strict: bool = False) rdkit.Chem.Mol#

Converts a list of SMILES strings to RDKit molecules.

Converts a list of SMILES strings to RDKit molecules. If strict is True, it raises an error if a SMILES string in the list cannot be parsed.

Parameters

smiles (List[str]) – A list of SMILES string.

Returns

An RDKit molecule.

Return type

Chem.Mol