{ "target_id": "drd3", "random_state": 42, "uniprot_ids": [ "P19020", "P35462" ], "pfam_ids": [ "PF00001" ], "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": 42, "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_42/unknown_active_sets_by_target.csv", "putative_inactives": { "scope": "per_random_state", "path": "drd3/random_state_42/putative_inactives.csv", "derivation": "pool_ids excluding evaluation_actives", "sha256_ids": "5dd4c00977c06c8a9074ecdd30da55f0eebcc1e407efaedade0e04d6ca2d241d" }, "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": 6160, "n_inactive_total_raw": 826596, "n_known_actives": 90, "n_evaluation_actives": 805, "n_pool_evaluation_actives": 805, "n_putative_inactives": 161000 } }