rdkit&nlp | smiles数据扩增与smiles标准化

from rdkit import Chem
from rdkit.Chem.Draw import IPythonConsole
smi = 'CC(=O)OC1=CC=CC=C1C(=O)O'
mol = Chem.MolFromSmiles(smi)

用doRandom产生随机smiles

random_equivalent_smiles = Ch