data/phase5/reference_labels.json

{
  "n_drugs": 1278,
  "clusters": {
    "1": {
      "label": "Near-neutral (topology remodel, little net change)",
      "paper_grounded": false,
      "n": 110,
      "mean_direction": 0.024,
      "direction": "pro",
      "mean_activity": 0.12
    },
    "2": {
      "label": "Control-like / minimal effect",
      "paper_grounded": true,
      "n": 250,
      "mean_direction": 0.099,
      "direction": "pro",
      "mean_activity": 0.101
    },
    "3": {
      "label": "Pro-angiogenic",
      "paper_grounded": false,
      "n": 101,
      "mean_direction": 0.354,
      "direction": "pro",
      "mean_activity": 0.099
    },
    "4": {
      "label": "Pro-angiogenic (incl. glutamate-antagonist group)",
      "paper_grounded": true,
      "n": 165,
      "mean_direction": 0.292,
      "direction": "pro",
      "mean_activity": 0.134
    },
    "5": {
      "label": "Strongly pro-angiogenic",
      "paper_grounded": false,
      "n": 105,
      "mean_direction": 0.524,
      "direction": "pro",
      "mean_activity": 0.12
    },
    "6": {
      "label": "Pro-angiogenic",
      "paper_grounded": false,
      "n": 275,
      "mean_direction": 0.3,
      "direction": "pro",
      "mean_activity": 0.116
    },
    "7": {
      "label": "Tube disruption / anti-angiogenic (most active)",
      "paper_grounded": true,
      "n": 272,
      "mean_direction": -1.126,
      "direction": "anti",
      "mean_activity": 0.239
    }
  },
  "true_dark": [
    {
      "drug_name": "BNTX maleate salt hydrate",
      "cluster": 7,
      "direction": "anti",
      "activity_magnitude": 0.464,
      "real_angio_pubmed_hits": 1,
      "active_dark_centerpiece": true
    },
    {
      "drug_name": "Ziprasidone hydrochloride monohydrate",
      "cluster": 7,
      "direction": "anti",
      "activity_magnitude": 0.163,
      "real_angio_pubmed_hits": 1,
      "active_dark_centerpiece": true
    },
    {
      "drug_name": "PHA 767491 hydrochloride",
      "cluster": 7,
      "direction": "anti",
      "activity_magnitude": 0.146,
      "real_angio_pubmed_hits": 0,
      "active_dark_centerpiece": true
    },
    {
      "drug_name": "N2-Ethyl-2'-deoxyguanosine",
      "cluster": 4,
      "direction": "pro",
      "activity_magnitude": 0.127,
      "real_angio_pubmed_hits": 0,
      "active_dark_centerpiece": false
    },
    {
      "drug_name": "Propantheline bromide",
      "cluster": 7,
      "direction": "anti",
      "activity_magnitude": 0.115,
      "real_angio_pubmed_hits": 0,
      "active_dark_centerpiece": false
    },
    {
      "drug_name": "Tomoxetine",
      "cluster": 3,
      "direction": "pro",
      "activity_magnitude": 0.112,
      "real_angio_pubmed_hits": 0,
      "active_dark_centerpiece": false
    },
    {
      "drug_name": "Dolasetron mesylate hydrate",
      "cluster": 3,
      "direction": "pro",
      "activity_magnitude": 0.103,
      "real_angio_pubmed_hits": 1,
      "active_dark_centerpiece": false
    },
    {
      "drug_name": "CP-471474",
      "cluster": 4,
      "direction": "pro",
      "activity_magnitude": 0.103,
      "real_angio_pubmed_hits": 0,
      "active_dark_centerpiece": false
    },
    {
      "drug_name": "CP-101537",
      "cluster": 1,
      "direction": "anti",
      "activity_magnitude": 0.101,
      "real_angio_pubmed_hits": 0,
      "active_dark_centerpiece": false
    },
    {
      "drug_name": "Caroverine hydrochloride",
      "cluster": 2,
      "direction": "anti",
      "activity_magnitude": 0.095,
      "real_angio_pubmed_hits": 2,
      "active_dark_centerpiece": false
    },
    {
      "drug_name": "Doxepin hydrochloride",
      "cluster": 2,
      "direction": "pro",
      "activity_magnitude": 0.094,
      "real_angio_pubmed_hits": 1,
      "active_dark_centerpiece": false
    },
    {
      "drug_name": "CP-93129 dihydrochloride hydrate",
      "cluster": 1,
      "direction": "pro",
      "activity_magnitude": 0.092,
      "real_angio_pubmed_hits": 2,
      "active_dark_centerpiece": false
    },
    {
      "drug_name": "Sematilide monohydrochloride monohydrate",
      "cluster": 6,
      "direction": "pro",
      "activity_magnitude": 0.087,
      "real_angio_pubmed_hits": 0,
      "active_dark_centerpiece": false
    }
  ],
  "active_dark_centerpieces": [
    "BNTX maleate salt hydrate",
    "Ziprasidone hydrochloride monohydrate",
    "PHA 767491 hydrochloride"
  ],
  "kg_coverage": {
    "drugs_with_angio_edges": 390,
    "pct": 30.5,
    "case_study_drugs": [
      {
        "drug_name": "Adenosine",
        "cluster": 7,
        "angio_edges": 59
      },
      {
        "drug_name": "Cilostazol",
        "cluster": 3,
        "angio_edges": 20
      },
      {
        "drug_name": "Histamine dihydrochloride",
        "cluster": 2,
        "angio_edges": 20
      },
      {
        "drug_name": "Gossypol",
        "cluster": 1,
        "angio_edges": 15
      },
      {
        "drug_name": "Raloxifene hydrochloride",
        "cluster": 7,
        "angio_edges": 14
      },
      {
        "drug_name": "(\u00b1)-Propranolol hydrochloride",
        "cluster": 4,
        "angio_edges": 14
      },
      {
        "drug_name": "Sunitinib malate",
        "cluster": 7,
        "angio_edges": 14
      },
      {
        "drug_name": "(S)-Propranolol hydrochloride",
        "cluster": 4,
        "angio_edges": 14
      },
      {
        "drug_name": "Phenylephrine hydrochloride",
        "cluster": 4,
        "angio_edges": 13
      },
      {
        "drug_name": "Atorvastatin calcium salt trihydrate",
        "cluster": 6,
        "angio_edges": 12
      },
      {
        "drug_name": "Caffeine",
        "cluster": 6,
        "angio_edges": 12
      },
      {
        "drug_name": "Resveratrol",
        "cluster": 2,
        "angio_edges": 11
      }
    ]
  },
  "pubmed_false_match_outliers": [
    {
      "drug_name": "2,4-Diamino-6-pyrimidinone",
      "real_angio_pubmed_hits": 305729,
      "real_total_pubmed_hits": 0
    },
    {
      "drug_name": "N,N,N',N'-Tetramethylazodicarboxamide",
      "real_angio_pubmed_hits": 569,
      "real_total_pubmed_hits": 0
    },
    {
      "drug_name": "LY-310,762 hydrochloride",
      "real_angio_pubmed_hits": 407,
      "real_total_pubmed_hits": 0
    },
    {
      "drug_name": "(6R)-5,6,7,8-Tetrahydro-L-biopterin hydrochloride",
      "real_angio_pubmed_hits": 20,
      "real_total_pubmed_hits": 0
    },
    {
      "drug_name": "(\u00b1)-3-(3,4-dihydroxyphenyl)-2-methyl-DL-alanine",
      "real_angio_pubmed_hits": 18,
      "real_total_pubmed_hits": 0
    },
    {
      "drug_name": "2-(2-Aminoethyl)isothiourea dihydrobromide",
      "real_angio_pubmed_hits": 10,
      "real_total_pubmed_hits": 0
    },
    {
      "drug_name": "R(-)-2,10,11-Trihydroxy-N-propylnoraporphine hydrobromide",
      "real_angio_pubmed_hits": 2,
      "real_total_pubmed_hits": 0
    },
    {
      "drug_name": "R(+)-IAA-94",
      "real_angio_pubmed_hits": 2,
      "real_total_pubmed_hits": 0
    }
  ]
}