← Về thư mục
- load_admetlab_results · function · L14-L19 — def load_admetlab_results(csv_path)
- calculate_druglikeness · function · L22-L46 — def calculate_druglikeness(mol)
- flag_pains · function · L49-L70 — def flag_pains(molecules)
- flag_structural_alerts · function · L73-L99 — def flag_structural_alerts(molecules, catalogs=None)
- annotate_compounds · function · L102-L116 — def annotate_compounds(molecules)
- batch_druglikeness · function · L119-L127 — def batch_druglikeness(molecules)