convert_smiles_to_mol

convert_smiles_to_mol(smiles: str | None, sanitize: bool = True) → Mol | None

Convert a SMILES string to an RDKit Mol object.

Performs sanitization and validation of the molecule. Returns None if the SMILES is invalid or the molecule fails validation.

Parameters:

• smiles – SMILES string to convert.

• sanitize – Whether to sanitize the molecule. Default True.

Returns:

RDKit Mol object, or None if conversion fails.