← Về thư mục
- get_bemis_murcko_scaffold · function · L10-L15 — def get_bemis_murcko_scaffold(smi)
- get_generic_framework · function · L18-L24 — def get_generic_framework(smi)
- scaffold_clusters · function · L27-L39 — def scaffold_clusters(df, smiles_col='smiles')
- scaffold_split · function · L42-L72 — def scaffold_split(df, smiles_col='smiles', train_frac=0.8, seed=42)
- detect_analog_series · function · L75-L84 — def detect_analog_series(df, smiles_col='smiles', min_size=3)