ace/random_state_3/split_metadata.json

{
  "target_id": "ace",
  "random_state": 3,
  "uniprot_ids": [
    "P09470",
    "P12821",
    "P12822",
    "P47820"
  ],
  "pfam_ids": [
    "PF01401"
  ],
  "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": "ace/random_state_3/putative_inactives.csv",
    "derivation": "pool_ids excluding evaluation_actives",
    "sha256_ids": "32ea9aabf98ab46fb7e8cbda475c73ec80b10bca8794b2f24d0281c47fccb086"
  },
  "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": 1208,
    "n_inactive_total_raw": 996008,
    "n_known_actives": 63,
    "n_evaluation_actives": 569,
    "n_pool_evaluation_actives": 569,
    "n_putative_inactives": 113800
  }
}