← Về thư mục
- enumerate_reaction · function · L21-L63 — def enumerate_reaction(rxn_smarts, reactant_lists, deduplicate=True)
- validate_products · function · L66-L89 — def validate_products(smiles_list, mw_max=500, logp_max=5)
- multi_step_synthesis · function · L92-L110 — def multi_step_synthesis(building_blocks, reaction_sequence)
- apply_rgroup_decoration · function · L113-L163 — def apply_rgroup_decoration(core_smiles, r_groups)