data/anchor_scores_s2.json

[
 {
  "label": "delamanid",
  "note": "승인 결핵약 · 다른 표적에 작용",
  "note_en": "approved TB drug, acts on a different target",
  "admitted": true,
  "relegated": false,
  "relegate_reason": [],
  "tier": 1,
  "total": 39.164,
  "axes": {
   "activity": {
    "points": 18.8,
    "detail": {
     "pAct_q10": 5.022,
     "threshold_passed": true,
     "threshold_term": 1.0,
     "ramp_term": 0.88,
     "tau": 3.8131,
     "ramp": [
      4.0712,
      5.1512
     ]
    }
   },
   "binding": {
    "points": 10.223,
    "detail": {
     "pIC50": 6.56,
     "LE": 0.236,
     "potency_term": 0.519,
     "efficiency_cap": 0.788,
     "heavy_halogens": 0,
     "halogen_correction": 1.0
    }
   },
   "selectivity": {
    "points": 1.749,
    "detail": {
     "fold": 1.9,
     "selectivity_term": 0.135,
     "target_engagement": 0.519
    }
   },
   "admet": {
    "points": 4.884,
    "detail": {
     "geometric_mean": 0.346,
     "per_endpoint": {
      "solubility-aqsoldb": 0.132,
      "caco2-wang": 0.531,
      "hia-hou": 1.0,
      "bioavailability-ma": 0.951,
      "pgp-broccatelli": 0.05,
      "cyp2c9-veith": 0.285,
      "cyp3a4-substrate-carbonmangels": 0.226,
      "ld50-zhu": 0.563,
      "herg": 0.05,
      "dili": 0.55
     }
    }
   },
   "novelty": {
    "points": 0.0,
    "detail": {
     "max_tanimoto": 1.0,
     "novelty": 0.0
    }
   },
   "synthesis": {
    "points": 3.508,
    "detail": {
     "sa_score": 3.39
    }
   }
  }
 },
 {
  "label": "prothionamide",
  "note": "전구약 — 체내에서 바뀌어야 작용한다",
  "note_en": "prodrug - has to be converted inside the cell to work",
  "admitted": true,
  "relegated": false,
  "relegate_reason": [],
  "tier": 1,
  "total": 33.203,
  "axes": {
   "activity": {
    "points": 16.169,
    "detail": {
     "pAct_q10": 4.737,
     "threshold_passed": true,
     "threshold_term": 1.0,
     "ramp_term": 0.617,
     "tau": 3.8131,
     "ramp": [
      4.0712,
      5.1512
     ]
    }
   },
   "binding": {
    "points": 2.095,
    "detail": {
     "pIC50": 4.93,
     "LE": 0.563,
     "potency_term": 0.084,
     "efficiency_cap": 1.0,
     "heavy_halogens": 0,
     "halogen_correction": 1.0
    }
   },
   "selectivity": {
    "points": 0.0,
    "detail": {
     "fold": 0.6,
     "selectivity_term": 0.0,
     "target_engagement": 0.0
    }
   },
   "admet": {
    "points": 10.897,
    "detail": {
     "geometric_mean": 0.899,
     "per_endpoint": {
      "solubility-aqsoldb": 0.945,
      "caco2-wang": 1.0,
      "hia-hou": 1.0,
      "bioavailability-ma": 1.0,
      "pgp-broccatelli": 1.0,
      "cyp2c9-veith": 1.0,
      "cyp3a4-substrate-carbonmangels": 1.0,
      "ld50-zhu": 0.664,
      "herg": 1.0,
      "dili": 0.511
     }
    }
   },
   "novelty": {
    "points": 0.0,
    "detail": {
     "max_tanimoto": 1.0,
     "novelty": 0.0
    }
   },
   "synthesis": {
    "points": 4.042,
    "detail": {
     "sa_score": 2.23
    }
   }
  }
 },
 {
  "label": "ethionamide",
  "note": "전구약 — 체내에서 바뀌어야 작용한다",
  "note_en": "prodrug - has to be converted inside the cell to work",
  "admitted": true,
  "relegated": false,
  "relegate_reason": [],
  "tier": 1,
  "total": 31.53,
  "axes": {
   "activity": {
    "points": 15.757,
    "detail": {
     "pAct_q10": 4.693,
     "threshold_passed": true,
     "threshold_term": 1.0,
     "ramp_term": 0.576,
     "tau": 3.8131,
     "ramp": [
      4.0712,
      5.1512
     ]
    }
   },
   "binding": {
    "points": 1.542,
    "detail": {
     "pIC50": 4.81,
     "LE": 0.599,
     "potency_term": 0.062,
     "efficiency_cap": 1.0,
     "heavy_halogens": 0,
     "halogen_correction": 1.0
    }
   },
   "selectivity": {
    "points": 0.0,
    "detail": {
     "fold": 0.4,
     "selectivity_term": 0.0,
     "target_engagement": 0.0
    }
   },
   "admet": {
    "points": 10.292,
    "detail": {
     "geometric_mean": 0.871,
     "per_endpoint": {
      "solubility-aqsoldb": 1.0,
      "caco2-wang": 1.0,
      "hia-hou": 1.0,
      "bioavailability-ma": 1.0,
      "pgp-broccatelli": 1.0,
      "cyp2c9-veith": 1.0,
      "cyp3a4-substrate-carbonmangels": 1.0,
      "ld50-zhu": 0.607,
      "herg": 1.0,
      "dili": 0.342
     }
    }
   },
   "novelty": {
    "points": 0.0,
    "detail": {
     "max_tanimoto": 1.0,
     "novelty": 0.0
    }
   },
   "synthesis": {
    "points": 3.939,
    "detail": {
     "sa_score": 2.25
    }
   }
  }
 },
 {
  "label": "pretomanid",
  "note": "승인 결핵약 · 다른 표적에 작용",
  "note_en": "approved TB drug, acts on a different target",
  "admitted": true,
  "relegated": false,
  "relegate_reason": [],
  "tier": 1,
  "total": 30.922,
  "axes": {
   "activity": {
    "points": 10.853,
    "detail": {
     "pAct_q10": 4.163,
     "threshold_passed": true,
     "threshold_term": 1.0,
     "ramp_term": 0.085,
     "tau": 3.8131,
     "ramp": [
      4.0712,
      5.1512
     ]
    }
   },
   "binding": {
    "points": 11.78,
    "detail": {
     "pIC50": 6.41,
     "LE": 0.351,
     "potency_term": 0.471,
     "efficiency_cap": 1.0,
     "heavy_halogens": 0,
     "halogen_correction": 1.0
    }
   },
   "selectivity": {
    "points": 0.0,
    "detail": {
     "fold": 0.6,
     "selectivity_term": 0.0,
     "target_engagement": 0.471
    }
   },
   "admet": {
    "points": 4.444,
    "detail": {
     "geometric_mean": 0.546,
     "per_endpoint": {
      "solubility-aqsoldb": 0.328,
      "caco2-wang": 0.801,
      "hia-hou": 1.0,
      "bioavailability-ma": 1.0,
      "pgp-broccatelli": 1.0,
      "cyp2c9-veith": 0.55,
      "cyp3a4-substrate-carbonmangels": 0.53,
      "ld50-zhu": 0.337,
      "herg": 1.0,
      "dili": 0.05
     }
    }
   },
   "novelty": {
    "points": 1.753,
    "detail": {
     "max_tanimoto": 0.677,
     "novelty": 0.323
    }
   },
   "synthesis": {
    "points": 2.092,
    "detail": {
     "sa_score": 3.3
    }
   }
  }
 },
 {
  "label": "clofazimine",
  "note": "승인 결핵약 · 다른 표적에 작용",
  "note_en": "approved TB drug, acts on a different target",
  "admitted": true,
  "relegated": false,
  "relegate_reason": [],
  "tier": 1,
  "total": 29.609,
  "axes": {
   "activity": {
    "points": 19.116,
    "detail": {
     "pAct_q10": 5.056,
     "threshold_passed": true,
     "threshold_term": 1.0,
     "ramp_term": 0.912,
     "tau": 3.8131,
     "ramp": [
      4.0712,
      5.1512
     ]
    }
   },
   "binding": {
    "points": 0.818,
    "detail": {
     "pIC50": 4.72,
     "LE": 0.196,
     "potency_term": 0.05,
     "efficiency_cap": 0.654,
     "heavy_halogens": 0,
     "halogen_correction": 1.0
    }
   },
   "selectivity": {
    "points": 0.0,
    "detail": {
     "fold": 0.2,
     "selectivity_term": 0.0,
     "target_engagement": 0.0
    }
   },
   "admet": {
    "points": 4.919,
    "detail": {
     "geometric_mean": 0.343,
     "per_endpoint": {
      "solubility-aqsoldb": 0.05,
      "caco2-wang": 0.77,
      "hia-hou": 1.0,
      "bioavailability-ma": 1.0,
      "pgp-broccatelli": 0.05,
      "cyp2c9-veith": 1.0,
      "cyp3a4-substrate-carbonmangels": 1.0,
      "ld50-zhu": 0.262,
      "herg": 0.05,
      "dili": 0.424
     }
    }
   },
   "novelty": {
    "points": 0.0,
    "detail": {
     "max_tanimoto": 1.0,
     "novelty": 0.0
    }
   },
   "synthesis": {
    "points": 4.756,
    "detail": {
     "sa_score": 2.52
    }
   }
  }
 },
 {
  "label": "linezolid",
  "note": "승인 결핵약 · 다른 표적에 작용",
  "note_en": "approved TB drug, acts on a different target",
  "admitted": true,
  "relegated": false,
  "relegate_reason": [],
  "tier": 1,
  "total": 22.924,
  "axes": {
   "activity": {
    "points": 11.027,
    "detail": {
     "pAct_q10": 4.182,
     "threshold_passed": true,
     "threshold_term": 1.0,
     "ramp_term": 0.103,
     "tau": 3.8131,
     "ramp": [
      4.0712,
      5.1512
     ]
    }
   },
   "binding": {
    "points": 2.763,
    "detail": {
     "pIC50": 5.33,
     "LE": 0.304,
     "potency_term": 0.111,
     "efficiency_cap": 1.0,
     "heavy_halogens": 0,
     "halogen_correction": 1.0
    }
   },
   "selectivity": {
    "points": 0.939,
    "detail": {
     "fold": 4.8,
     "selectivity_term": 0.34,
     "target_engagement": 0.111
    }
   },
   "admet": {
    "points": 5.642,
    "detail": {
     "geometric_mean": 0.682,
     "per_endpoint": {
      "solubility-aqsoldb": 0.864,
      "caco2-wang": 0.891,
      "hia-hou": 1.0,
      "bioavailability-ma": 1.0,
      "pgp-broccatelli": 1.0,
      "cyp2c9-veith": 1.0,
      "cyp3a4-substrate-carbonmangels": 1.0,
      "ld50-zhu": 0.26,
      "herg": 0.357,
      "dili": 0.225
     }
    }
   },
   "novelty": {
    "points": 0.0,
    "detail": {
     "max_tanimoto": 1.0,
     "novelty": 0.0
    }
   },
   "synthesis": {
    "points": 2.553,
    "detail": {
     "sa_score": 2.76
    }
   }
  }
 },
 {
  "label": "moxifloxacin",
  "note": "승인 결핵약 · 다른 표적에 작용",
  "note_en": "approved TB drug, acts on a different target",
  "admitted": true,
  "relegated": false,
  "relegate_reason": [],
  "tier": 1,
  "total": 22.759,
  "axes": {
   "activity": {
    "points": 12.592,
    "detail": {
     "pAct_q10": 4.351,
     "threshold_passed": true,
     "threshold_term": 1.0,
     "ramp_term": 0.259,
     "tau": 3.8131,
     "ramp": [
      4.0712,
      5.1512
     ]
    }
   },
   "binding": {
    "points": 1.862,
    "detail": {
     "pIC50": 4.98,
     "LE": 0.235,
     "potency_term": 0.095,
     "efficiency_cap": 0.784,
     "heavy_halogens": 0,
     "halogen_correction": 1.0
    }
   },
   "selectivity": {
    "points": 0.0,
    "detail": {
     "fold": 0.4,
     "selectivity_term": 0.0,
     "target_engagement": 0.0
    }
   },
   "admet": {
    "points": 6.064,
    "detail": {
     "geometric_mean": 0.642,
     "per_endpoint": {
      "solubility-aqsoldb": 0.611,
      "caco2-wang": 0.561,
      "hia-hou": 1.0,
      "bioavailability-ma": 1.0,
      "pgp-broccatelli": 1.0,
      "cyp2c9-veith": 1.0,
      "cyp3a4-substrate-carbonmangels": 0.767,
      "ld50-zhu": 0.538,
      "herg": 1.0,
      "dili": 0.05
     }
    }
   },
   "novelty": {
    "points": 0.0,
    "detail": {
     "max_tanimoto": 1.0,
     "novelty": 0.0
    }
   },
   "synthesis": {
    "points": 2.241,
    "detail": {
     "sa_score": 3.51
    }
   }
  }
 },
 {
  "label": "bedaquiline",
  "note": "승인 결핵약 · 다른 표적에 작용",
  "note_en": "approved TB drug, acts on a different target",
  "admitted": true,
  "relegated": false,
  "relegate_reason": [],
  "tier": 1,
  "total": 21.329,
  "axes": {
   "activity": {
    "points": 14.215,
    "detail": {
     "pAct_q10": 4.526,
     "threshold_passed": true,
     "threshold_term": 1.0,
     "ramp_term": 0.421,
     "tau": 3.8131,
     "ramp": [
      4.0712,
      5.1512
     ]
    }
   },
   "binding": {
    "points": 0.94,
    "detail": {
     "pIC50": 4.82,
     "LE": 0.178,
     "potency_term": 0.063,
     "efficiency_cap": 0.594,
     "heavy_halogens": 1,
     "halogen_correction": 1.0
    }
   },
   "selectivity": {
    "points": 0.0,
    "detail": {
     "fold": 0.2,
     "selectivity_term": 0.0,
     "target_engagement": 0.0
    }
   },
   "admet": {
    "points": 3.532,
    "detail": {
     "geometric_mean": 0.331,
     "per_endpoint": {
      "solubility-aqsoldb": 0.05,
      "caco2-wang": 0.662,
      "hia-hou": 1.0,
      "bioavailability-ma": 1.0,
      "pgp-broccatelli": 0.05,
      "cyp2c9-veith": 0.788,
      "cyp3a4-substrate-carbonmangels": 0.05,
      "ld50-zhu": 0.993,
      "herg": 0.05,
      "dili": 0.596
     }
    }
   },
   "novelty": {
    "points": 0.0,
    "detail": {
     "max_tanimoto": 1.0,
     "novelty": 0.0
    }
   },
   "synthesis": {
    "points": 2.642,
    "detail": {
     "sa_score": 3.4
    }
   }
  }
 },
 {
  "label": "isoniazid",
  "note": "전구약 — 체내에서 바뀌어야 작용한다",
  "note_en": "prodrug - has to be converted inside the cell to work",
  "admitted": true,
  "relegated": false,
  "relegate_reason": [],
  "tier": 1,
  "total": 21.263,
  "axes": {
   "activity": {
    "points": 11.517,
    "detail": {
     "pAct_q10": 4.235,
     "threshold_passed": true,
     "threshold_term": 1.0,
     "ramp_term": 0.152,
     "tau": 3.8131,
     "ramp": [
      4.0712,
      5.1512
     ]
    }
   },
   "binding": {
    "points": 0.244,
    "detail": {
     "pIC50": 4.07,
     "LE": 0.558,
     "potency_term": 0.01,
     "efficiency_cap": 1.0,
     "heavy_halogens": 0,
     "halogen_correction": 1.0
    }
   },
   "selectivity": {
    "points": 0.0,
    "detail": {
     "fold": 1.3,
     "selectivity_term": 0.049,
     "target_engagement": 0.0
    }
   },
   "admet": {
    "points": 6.623,
    "detail": {
     "geometric_mean": 0.767,
     "per_endpoint": {
      "solubility-aqsoldb": 1.0,
      "caco2-wang": 0.906,
      "hia-hou": 1.0,
      "bioavailability-ma": 1.0,
      "pgp-broccatelli": 1.0,
      "cyp2c9-veith": 1.0,
      "cyp3a4-substrate-carbonmangels": 1.0,
      "ld50-zhu": 0.305,
      "herg": 1.0,
      "dili": 0.244
     }
    }
   },
   "novelty": {
    "points": 0.0,
    "detail": {
     "max_tanimoto": 1.0,
     "novelty": 0.0
    }
   },
   "synthesis": {
    "points": 2.879,
    "detail": {
     "sa_score": 1.9
    }
   }
  }
 },
 {
  "label": "levofloxacin",
  "note": "승인 결핵약 · 다른 표적에 작용",
  "note_en": "approved TB drug, acts on a different target",
  "admitted": true,
  "relegated": false,
  "relegate_reason": [],
  "tier": 1,
  "total": 20.736,
  "axes": {
   "activity": {
    "points": 10.545,
    "detail": {
     "pAct_q10": 4.13,
     "threshold_passed": true,
     "threshold_term": 1.0,
     "ramp_term": 0.055,
     "tau": 3.8131,
     "ramp": [
      4.0712,
      5.1512
     ]
    }
   },
   "binding": {
    "points": 3.028,
    "detail": {
     "pIC50": 5.38,
     "LE": 0.284,
     "potency_term": 0.128,
     "efficiency_cap": 0.946,
     "heavy_halogens": 0,
     "halogen_correction": 1.0
    }
   },
   "selectivity": {
    "points": 0.26,
    "detail": {
     "fold": 1.5,
     "selectivity_term": 0.081,
     "target_engagement": 0.128
    }
   },
   "admet": {
    "points": 4.717,
    "detail": {
     "geometric_mean": 0.596,
     "per_endpoint": {
      "solubility-aqsoldb": 0.897,
      "caco2-wang": 0.962,
      "hia-hou": 1.0,
      "bioavailability-ma": 1.0,
      "pgp-broccatelli": 1.0,
      "cyp2c9-veith": 1.0,
      "cyp3a4-substrate-carbonmangels": 1.0,
      "ld50-zhu": 0.107,
      "herg": 1.0,
      "dili": 0.05
     }
    }
   },
   "novelty": {
    "points": 0.0,
    "detail": {
     "max_tanimoto": 1.0,
     "novelty": 0.0
    }
   },
   "synthesis": {
    "points": 2.186,
    "detail": {
     "sa_score": 3.1
    }
   }
  }
 },
 {
  "label": "ibuprofen",
  "note": "결핵과 무관 (음성 대조)",
  "note_en": "nothing to do with tuberculosis (negative control)",
  "admitted": true,
  "relegated": false,
  "relegate_reason": [],
  "tier": 1,
  "total": 1.639,
  "axes": {
   "activity": {
    "points": 0.286,
    "detail": {
     "pAct_q10": 3.144,
     "threshold_passed": false,
     "threshold_term": 0.019,
     "ramp_term": 0.01,
     "tau": 3.8131,
     "ramp": [
      4.0712,
      5.1512
     ]
    }
   },
   "binding": {
    "points": 0.705,
    "detail": {
     "pIC50": 4.49,
     "LE": 0.41,
     "potency_term": 0.028,
     "efficiency_cap": 1.0,
     "heavy_halogens": 0,
     "halogen_correction": 1.0
    }
   },
   "selectivity": {
    "points": 0.0,
    "detail": {
     "fold": 3.2,
     "selectivity_term": 0.254,
     "target_engagement": 0.0
    }
   },
   "admet": {
    "points": 0.313,
    "detail": {
     "geometric_mean": 0.74,
     "per_endpoint": {
      "solubility-aqsoldb": 0.677,
      "caco2-wang": 1.0,
      "hia-hou": 1.0,
      "bioavailability-ma": 1.0,
      "pgp-broccatelli": 1.0,
      "cyp2c9-veith": 1.0,
      "cyp3a4-substrate-carbonmangels": 1.0,
      "ld50-zhu": 0.212,
      "herg": 1.0,
      "dili": 0.528
     }
    }
   },
   "novelty": {
    "points": 0.194,
    "detail": {
     "max_tanimoto": 0.314,
     "novelty": 0.686
    }
   },
   "synthesis": {
    "points": 0.141,
    "detail": {
     "sa_score": 2.19
    }
   }
  }
 },
 {
  "label": "cycloserine",
  "note": "승인약이나 표준 시험에서 약하다",
  "note_en": "approved, but weak under standard testing",
  "admitted": true,
  "relegated": false,
  "relegate_reason": [],
  "tier": 1,
  "total": 1.439,
  "axes": {
   "activity": {
    "points": 0.394,
    "detail": {
     "pAct_q10": 3.271,
     "threshold_passed": false,
     "threshold_term": 0.026,
     "ramp_term": 0.014,
     "tau": 3.8131,
     "ramp": [
      4.0712,
      5.1512
     ]
    }
   },
   "binding": {
    "points": 0.585,
    "detail": {
     "pIC50": 4.42,
     "LE": 0.865,
     "potency_term": 0.023,
     "efficiency_cap": 1.0,
     "heavy_halogens": 0,
     "halogen_correction": 1.0
    }
   },
   "selectivity": {
    "points": 0.0,
    "detail": {
     "fold": 0.2,
     "selectivity_term": 0.0,
     "target_engagement": 0.0
    }
   },
   "admet": {
    "points": 0.206,
    "detail": {
     "geometric_mean": 0.587,
     "per_endpoint": {
      "solubility-aqsoldb": 1.0,
      "caco2-wang": 0.369,
      "hia-hou": 1.0,
      "bioavailability-ma": 1.0,
      "pgp-broccatelli": 1.0,
      "cyp2c9-veith": 1.0,
      "cyp3a4-substrate-carbonmangels": 1.0,
      "ld50-zhu": 0.05,
      "herg": 1.0,
      "dili": 1.0
     }
    }
   },
   "novelty": {
    "points": 0.194,
    "detail": {
     "max_tanimoto": 0.171,
     "novelty": 0.829
    }
   },
   "synthesis": {
    "points": 0.06,
    "detail": {
     "sa_score": 4.2
    }
   }
  }
 },
 {
  "label": "caffeine",
  "note": "결핵과 무관 (음성 대조)",
  "note_en": "nothing to do with tuberculosis (negative control)",
  "admitted": true,
  "relegated": false,
  "relegate_reason": [],
  "tier": 1,
  "total": 1.404,
  "axes": {
   "activity": {
    "points": 0.586,
    "detail": {
     "pAct_q10": 3.431,
     "threshold_passed": false,
     "threshold_term": 0.038,
     "ramp_term": 0.02,
     "tau": 3.8131,
     "ramp": [
      4.0712,
      5.1512
     ]
    }
   },
   "binding": {
    "points": 0.298,
    "detail": {
     "pIC50": 4.15,
     "LE": 0.406,
     "potency_term": 0.012,
     "efficiency_cap": 1.0,
     "heavy_halogens": 0,
     "halogen_correction": 1.0
    }
   },
   "selectivity": {
    "points": 0.0,
    "detail": {
     "fold": 2.1,
     "selectivity_term": 0.163,
     "target_engagement": 0.0
    }
   },
   "admet": {
    "points": 0.218,
    "detail": {
     "geometric_mean": 0.496,
     "per_endpoint": {
      "solubility-aqsoldb": 1.0,
      "caco2-wang": 1.0,
      "hia-hou": 1.0,
      "bioavailability-ma": 1.0,
      "pgp-broccatelli": 1.0,
      "cyp2c9-veith": 1.0,
      "cyp3a4-substrate-carbonmangels": 0.05,
      "ld50-zhu": 0.096,
      "herg": 0.1,
      "dili": 0.58
     }
    }
   },
   "novelty": {
    "points": 0.156,
    "detail": {
     "max_tanimoto": 0.467,
     "novelty": 0.533
    }
   },
   "synthesis": {
    "points": 0.146,
    "detail": {
     "sa_score": 2.3
    }
   }
  }
 },
 {
  "label": "para-aminosalicylic acid",
  "note": "승인약이나 표준 시험에서 약하다",
  "note_en": "approved, but weak under standard testing",
  "admitted": true,
  "relegated": false,
  "relegate_reason": [],
  "tier": 1,
  "total": 1.357,
  "axes": {
   "activity": {
    "points": 0.227,
    "detail": {
     "pAct_q10": 3.052,
     "threshold_passed": false,
     "threshold_term": 0.015,
     "ramp_term": 0.008,
     "tau": 3.8131,
     "ramp": [
      4.0712,
      5.1512
     ]
    }
   },
   "binding": {
    "points": 0.739,
    "detail": {
     "pIC50": 4.51,
     "LE": 0.562,
     "potency_term": 0.03,
     "efficiency_cap": 1.0,
     "heavy_halogens": 0,
     "halogen_correction": 1.0
    }
   },
   "selectivity": {
    "points": 0.0,
    "detail": {
     "fold": 9.3,
     "selectivity_term": 0.484,
     "target_engagement": 0.0
    }
   },
   "admet": {
    "points": 0.243,
    "detail": {
     "geometric_mean": 0.549,
     "per_endpoint": {
      "solubility-aqsoldb": 1.0,
      "caco2-wang": 0.246,
      "hia-hou": 1.0,
      "bioavailability-ma": 1.0,
      "pgp-broccatelli": 1.0,
      "cyp2c9-veith": 1.0,
      "cyp3a4-substrate-carbonmangels": 0.815,
      "ld50-zhu": 0.05,
      "herg": 1.0,
      "dili": 1.0
     }
    }
   },
   "novelty": {
    "points": 0.0,
    "detail": {
     "max_tanimoto": 1.0,
     "novelty": 0.0
    }
   },
   "synthesis": {
    "points": 0.148,
    "detail": {
     "sa_score": 1.88
    }
   }
  }
 },
 {
  "label": "metformin",
  "note": "결핵과 무관 (음성 대조)",
  "note_en": "nothing to do with tuberculosis (negative control)",
  "admitted": true,
  "relegated": false,
  "relegate_reason": [],
  "tier": 1,
  "total": 1.218,
  "axes": {
   "activity": {
    "points": 0.588,
    "detail": {
     "pAct_q10": 3.432,
     "threshold_passed": false,
     "threshold_term": 0.039,
     "ramp_term": 0.02,
     "tau": 3.8131,
     "ramp": [
      4.0712,
      5.1512
     ]
    }
   },
   "binding": {
    "points": 0.093,
    "detail": {
     "pIC50": 3.68,
     "LE": 0.561,
     "potency_term": 0.004,
     "efficiency_cap": 1.0,
     "heavy_halogens": 0,
     "halogen_correction": 1.0
    }
   },
   "selectivity": {
    "points": 0.0,
    "detail": {
     "fold": 0.3,
     "selectivity_term": 0.0,
     "target_engagement": 0.0
    }
   },
   "admet": {
    "points": 0.198,
    "detail": {
     "geometric_mean": 0.45,
     "per_endpoint": {
      "solubility-aqsoldb": 1.0,
      "caco2-wang": 0.05,
      "hia-hou": 1.0,
      "bioavailability-ma": 1.0,
      "pgp-broccatelli": 1.0,
      "cyp2c9-veith": 1.0,
      "cyp3a4-substrate-carbonmangels": 1.0,
      "ld50-zhu": 0.05,
      "herg": 1.0,
      "dili": 1.0
     }
    }
   },
   "novelty": {
    "points": 0.241,
    "detail": {
     "max_tanimoto": 0.179,
     "novelty": 0.821
    }
   },
   "synthesis": {
    "points": 0.098,
    "detail": {
     "sa_score": 3.67
    }
   }
  }
 },
 {
  "label": "pyrazinamide",
  "note": "승인약이나 표준 시험에서 약하다",
  "note_en": "approved, but weak under standard testing",
  "admitted": true,
  "relegated": false,
  "relegate_reason": [],
  "tier": 1,
  "total": 1.077,
  "axes": {
   "activity": {
    "points": 0.443,
    "detail": {
     "pAct_q10": 3.319,
     "threshold_passed": false,
     "threshold_term": 0.029,
     "ramp_term": 0.015,
     "tau": 3.8131,
     "ramp": [
      4.0712,
      5.1512
     ]
    }
   },
   "binding": {
    "points": 0.326,
    "detail": {
     "pIC50": 4.18,
     "LE": 0.637,
     "potency_term": 0.013,
     "efficiency_cap": 1.0,
     "heavy_halogens": 0,
     "halogen_correction": 1.0
    }
   },
   "selectivity": {
    "points": 0.0,
    "detail": {
     "fold": 1.6,
     "selectivity_term": 0.096,
     "target_engagement": 0.0
    }
   },
   "admet": {
    "points": 0.197,
    "detail": {
     "geometric_mean": 0.592,
     "per_endpoint": {
      "solubility-aqsoldb": 1.0,
      "caco2-wang": 0.848,
      "hia-hou": 1.0,
      "bioavailability-ma": 1.0,
      "pgp-broccatelli": 1.0,
      "cyp2c9-veith": 1.0,
      "cyp3a4-substrate-carbonmangels": 1.0,
      "ld50-zhu": 0.104,
      "herg": 1.0,
      "dili": 0.05
     }
    }
   },
   "novelty": {
    "points": 0.0,
    "detail": {
     "max_tanimoto": 1.0,
     "novelty": 0.0
    }
   },
   "synthesis": {
    "points": 0.111,
    "detail": {
     "sa_score": 2.17
    }
   }
  }
 },
 {
  "label": "paracetamol",
  "note": "결핵과 무관 (음성 대조)",
  "note_en": "nothing to do with tuberculosis (negative control)",
  "admitted": true,
  "relegated": false,
  "relegate_reason": [],
  "tier": 1,
  "total": 0.958,
  "axes": {
   "activity": {
    "points": 0.403,
    "detail": {
     "pAct_q10": 3.281,
     "threshold_passed": false,
     "threshold_term": 0.026,
     "ramp_term": 0.014,
     "tau": 3.8131,
     "ramp": [
      4.0712,
      5.1512
     ]
    }
   },
   "binding": {
    "points": 0.174,
    "detail": {
     "pIC50": 3.93,
     "LE": 0.49,
     "potency_term": 0.007,
     "efficiency_cap": 1.0,
     "heavy_halogens": 0,
     "halogen_correction": 1.0
    }
   },
   "selectivity": {
    "points": 0.0,
    "detail": {
     "fold": 0.8,
     "selectivity_term": 0.0,
     "target_engagement": 0.0
    }
   },
   "admet": {
    "points": 0.166,
    "detail": {
     "geometric_mean": 0.549,
     "per_endpoint": {
      "solubility-aqsoldb": 1.0,
      "caco2-wang": 1.0,
      "hia-hou": 1.0,
      "bioavailability-ma": 1.0,
      "pgp-broccatelli": 1.0,
      "cyp2c9-veith": 1.0,
      "cyp3a4-substrate-carbonmangels": 0.05,
      "ld50-zhu": 0.05,
      "herg": 1.0,
      "dili": 1.0
     }
    }
   },
   "novelty": {
    "points": 0.114,
    "detail": {
     "max_tanimoto": 0.432,
     "novelty": 0.568
    }
   },
   "synthesis": {
    "points": 0.101,
    "detail": {
     "sa_score": 1.41
    }
   }
  }
 },
 {
  "label": "aspirin",
  "note": "결핵과 무관 (음성 대조)",
  "note_en": "nothing to do with tuberculosis (negative control)",
  "admitted": true,
  "relegated": false,
  "relegate_reason": [],
  "tier": 1,
  "total": 0.724,
  "axes": {
   "activity": {
    "points": 0.263,
    "detail": {
     "pAct_q10": 3.11,
     "threshold_passed": false,
     "threshold_term": 0.017,
     "ramp_term": 0.009,
     "tau": 3.8131,
     "ramp": [
      4.0712,
      5.1512
     ]
    }
   },
   "binding": {
    "points": 0.17,
    "detail": {
     "pIC50": 3.92,
     "LE": 0.414,
     "potency_term": 0.007,
     "efficiency_cap": 1.0,
     "heavy_halogens": 0,
     "halogen_correction": 1.0
    }
   },
   "selectivity": {
    "points": 0.0,
    "detail": {
     "fold": 3.7,
     "selectivity_term": 0.282,
     "target_engagement": 0.0
    }
   },
   "admet": {
    "points": 0.148,
    "detail": {
     "geometric_mean": 0.751,
     "per_endpoint": {
      "solubility-aqsoldb": 1.0,
      "caco2-wang": 0.997,
      "hia-hou": 1.0,
      "bioavailability-ma": 1.0,
      "pgp-broccatelli": 1.0,
      "cyp2c9-veith": 1.0,
      "cyp3a4-substrate-carbonmangels": 1.0,
      "ld50-zhu": 0.117,
      "herg": 1.0,
      "dili": 1.0
     }
    }
   },
   "novelty": {
    "points": 0.077,
    "detail": {
     "max_tanimoto": 0.417,
     "novelty": 0.583
    }
   },
   "synthesis": {
    "points": 0.066,
    "detail": {
     "sa_score": 1.58
    }
   }
  }
 },
 {
  "label": "ethambutol",
  "note": "승인약이나 표준 시험에서 약하다",
  "note_en": "approved, but weak under standard testing",
  "admitted": true,
  "relegated": false,
  "relegate_reason": [],
  "tier": 1,
  "total": 0.556,
  "axes": {
   "activity": {
    "points": 0.214,
    "detail": {
     "pAct_q10": 3.027,
     "threshold_passed": false,
     "threshold_term": 0.014,
     "ramp_term": 0.007,
     "tau": 3.8131,
     "ramp": [
      4.0712,
      5.1512
     ]
    }
   },
   "binding": {
    "points": 0.208,
    "detail": {
     "pIC50": 4.01,
     "LE": 0.392,
     "potency_term": 0.008,
     "efficiency_cap": 1.0,
     "heavy_halogens": 0,
     "halogen_correction": 1.0
    }
   },
   "selectivity": {
    "points": 0.0,
    "detail": {
     "fold": 1.2,
     "selectivity_term": 0.046,
     "target_engagement": 0.0
    }
   },
   "admet": {
    "points": 0.091,
    "detail": {
     "geometric_mean": 0.569,
     "per_endpoint": {
      "solubility-aqsoldb": 1.0,
      "caco2-wang": 0.293,
      "hia-hou": 1.0,
      "bioavailability-ma": 1.0,
      "pgp-broccatelli": 1.0,
      "cyp2c9-veith": 1.0,
      "cyp3a4-substrate-carbonmangels": 1.0,
      "ld50-zhu": 0.05,
      "herg": 1.0,
      "dili": 1.0
     }
    }
   },
   "novelty": {
    "points": 0.0,
    "detail": {
     "max_tanimoto": 1.0,
     "novelty": 0.0
    }
   },
   "synthesis": {
    "points": 0.043,
    "detail": {
     "sa_score": 3.21
    }
   }
  }
 }
]