mol_from_smiles

mol_from_smiles(smiles, sanitize=True, sanitize_kwargs={})

Convert a SMILES string into a RDKit Molecule

Parameters:

• smiles (str) – SMILES string

• sanitize (bool, optional) – Perform sanitization with sanitize_molecule(), by default False

• sanitize_kwargs (dict, optional, default={}) – Keywords for sanitize_molecule().

Returns:

RDKit molecule that was produced

Return type:

rdkit.Chem.rdchem.Mol