化合物去金属原子 # TODO: This won't disconnect e.g. covalent [Na]Cl... from rdkit import Chem from rdkit.Chem import MolStandardize md = MolStandardize.rdMolStandardize.MetalDisconnector() smi = 'CN(C)(C)->[Pt]' mol = Chem.MolFromSmiles(smi