{ "target_id": "aces", "random_state": 3, "uniprot_ids": [ "O42275", "P04058", "P21836", "P22303", "P23795", "P37136" ], "pfam_ids": [ "PF00135" ], "split_mode": "butina_representatives", "split_kwargs": { "max_total_actives": 1000, "known_frac": 0.1, "known_min": 10, "known_max": 200, "test_to_known_ratio": 10, "test_min": 50, "test_max": 1000, "nontrivial_tanimoto_cutoff": 0.8, "fallback_if_short": "allow_short", "random_state": 3, "butina_cutoff": 0.8, "butina_radius": 2, "butina_nbits": 1024 }, "min_known_for_eval": 50, "source_file": "resultados_EF_repeticiones_con_inactivos_10_90/seed_3/unknown_active_sets_by_target.csv", "putative_inactives": { "scope": "per_random_state", "path": "aces/random_state_3/putative_inactives.csv", "derivation": "pool_ids excluding evaluation_actives", "sha256_ids": "de1b4ed59f12312399e8d0534d01130ff906bb861432e13a997222905a347e2b" }, "pool_negative_sampling": { "source": "pool_ids from unknown_active_sets_by_target.csv", "original_function": "build_eval_pool_ids", "ratio_neg_to_pos": 200, "random_state": 0, "n_bg_cap": null }, "counts": { "n_active_total_raw": 2405, "n_inactive_total_raw": 994297, "n_known_actives": 53, "n_evaluation_actives": 476, "n_pool_evaluation_actives": 476, "n_putative_inactives": 95200 } }