mlchem.chem.manipulation.remove_smarts_pattern¶
- remove_smarts_pattern(mol: Mol, smarts_string: str) Mol¶
Remove substructures matching a SMARTS pattern from a molecule.
- Parameters:
mol (rdkit.Chem.rdchem.Mol) – An RDKit molecule object.
smarts_string (str) – A SMARTS pattern to remove.
- Returns:
The molecule with matching substructures removed.
- Return type:
rdkit.Chem.rdchem.Mol