rdkitpython
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 MolStandardizemd = MolStandardize.rdMolStandardize.MetalDisconnector()
smi = 'CN(C)(C)->[Pt]'
mol = Chem.MolFromSmiles(smi
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