{
    "data_id": "33010",
    "name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL4789",
    "exact_name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL4789",
    "version": 8,
    "version_label": null,
    "description": "This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL4789 (TID: 11042), and it has 207 rows and 68 features (not including molecule IDs and class feature: molecule_id and pXC50). The features represent Molecular Descriptors which were generated from SMILES strings. Missing value imputation was applied to this dataset (By choosing the Median). Feature selection was also applied.",
    "format": "ARFF",
    "uploader": "Noureddin Sadawi",
    "uploader_id": 62,
    "visibility": "public",
    "creator": "\"Dr Jeremy Besnard, Dr Ivan Olier, Dr Noureddin Sadawi, Dr Larisa Soldatova, Dr Crina Grosan, Prof Ross King, Dr Richard Bickerton, Prof Andrew Hopkins and Dr Willem van Hoorn\"",
    "contributor": null,
    "date": "2016-07-15 11:40:42",
    "update_comment": null,
    "last_update": "2016-07-15 11:40:42",
    "licence": "Public",
    "status": "deactivated",
    "error_message": null,
    "url": "https:\/\/www.openml.org\/data\/download\/3494538\/data_53301.arff",
    "default_target_attribute": "pXC50",
    "row_id_attribute": "molecule_id",
    "ignore_attribute": null,
    "runs": 2,
    "suggest": {
        "input": [
            "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL4789",
            "This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL4789 (TID: 11042), and it has 207 rows and 68 features (not including molecule IDs and class feature: molecule_id and pXC50). The features represent Molecular Descriptors which were generated from SMILES strings. Missing value imputation was applied to this dataset (By choosing the Median). Feature selection was also applied. "
        ],
        "weight": 5
    },
    "qualities": {
        "NumberOfInstances": 207,
        "NumberOfFeatures": 70,
        "NumberOfClasses": 0,
        "NumberOfMissingValues": 0,
        "NumberOfInstancesWithMissingValues": 0,
        "NumberOfNumericFeatures": 69,
        "NumberOfSymbolicFeatures": 1,
        "ClassEntropy": null,
        "MeanNoiseToSignalRatio": null,
        "Quartile2AttributeEntropy": null,
        "Dimensionality": 0.33816425120772947,
        "MeanNominalAttDistinctValues": null,
        "Quartile2KurtosisOfNumericAtts": 4.407201246570589,
        "EquivalentNumberOfAtts": null,
        "MeanSkewnessOfNumericAtts": -1.5659430720158616,
        "Quartile2MeansOfNumericAtts": 7.55251690821256,
        "MajorityClassPercentage": null,
        "MeanStdDevOfNumericAtts": 4.563315062705321,
        "Quartile2MutualInformation": null,
        "MajorityClassSize": null,
        "MinAttributeEntropy": null,
        "Quartile2SkewnessOfNumericAtts": -1.597357877743866,
        "MaxAttributeEntropy": null,
        "MinKurtosisOfNumericAtts": -1.1479750428977353,
        "PercentageOfBinaryFeatures": 0,
        "Quartile2StdDevOfNumericAtts": 1.3126937091973572,
        "MaxKurtosisOfNumericAtts": 21.55448235341544,
        "MinMeansOfNumericAtts": -3.1375748792270532,
        "PercentageOfInstancesWithMissingValues": 0,
        "Quartile3AttributeEntropy": null,
        "MaxMeansOfNumericAtts": 170.00041062801932,
        "MinMutualInformation": null,
        "PercentageOfMissingValues": 0,
        "Quartile3KurtosisOfNumericAtts": 9.752487581665894,
        "MaxMutualInformation": null,
        "MinNominalAttDistinctValues": null,
        "PercentageOfNumericFeatures": 98.57142857142858,
        "Quartile3MeansOfNumericAtts": 16.445152173913044,
        "MaxNominalAttDistinctValues": null,
        "MinSkewnessOfNumericAtts": -4.520755127020889,
        "PercentageOfSymbolicFeatures": 1.4285714285714286,
        "Quartile3MutualInformation": null,
        "MaxSkewnessOfNumericAtts": 2.589145125230224,
        "MinStdDevOfNumericAtts": 0.08533240389690122,
        "Quartile1AttributeEntropy": null,
        "Quartile3SkewnessOfNumericAtts": -0.6732205536471882,
        "MaxStdDevOfNumericAtts": 77.52187949449942,
        "MinorityClassPercentage": null,
        "Quartile1KurtosisOfNumericAtts": 0.5895800725498244,
        "Quartile3StdDevOfNumericAtts": 2.5367083541106217,
        "MeanAttributeEntropy": null,
        "MinorityClassSize": null,
        "Quartile1MeansOfNumericAtts": 3.666782608695652,
        "StdvNominalAttDistinctValues": null,
        "MeanKurtosisOfNumericAtts": 6.4158890587078625,
        "NumberOfBinaryFeatures": 0,
        "Quartile1MutualInformation": null,
        "MeanMeansOfNumericAtts": 13.826474690191137,
        "Quartile1SkewnessOfNumericAtts": -2.7244507806083718,
        "AutoCorrelation": 0.07148543689320429,
        "MeanMutualInformation": null,
        "Quartile1StdDevOfNumericAtts": 0.4415398113032332
    },
    "tags": [
        {
            "tag": "MetaQSAR",
            "uploader": "62"
        },
        {
            "tag": "study_13",
            "uploader": "62"
        }
    ],
    "features": [
        {
            "name": "pXC50",
            "index": "69",
            "type": "numeric",
            "distinct": "184",
            "missing": "0",
            "target": "1",
            "min": "4",
            "max": "8",
            "mean": "6",
            "stdev": "1"
        },
        {
            "name": "molecule_id",
            "index": "0",
            "type": "nominal",
            "distinct": "207",
            "missing": "0",
            "identifier": "1",
            "distr": []
        },
        {
            "name": "SM05_EA.bo.",
            "index": "1",
            "type": "numeric",
            "distinct": "135",
            "missing": "0",
            "min": "0",
            "max": "9",
            "mean": "8",
            "stdev": "1"
        },
        {
            "name": "SM07_EA.bo.",
            "index": "2",
            "type": "numeric",
            "distinct": "150",
            "missing": "0",
            "min": "0",
            "max": "12",
            "mean": "10",
            "stdev": "2"
        },
        {
            "name": "SM08_EA.bo.",
            "index": "3",
            "type": "numeric",
            "distinct": "158",
            "missing": "0",
            "min": "5",
            "max": "13",
            "mean": "12",
            "stdev": "1"
        },
        {
            "name": "SM08_AEA.bo.",
            "index": "4",
            "type": "numeric",
            "distinct": "159",
            "missing": "0",
            "min": "8",
            "max": "14",
            "mean": "13",
            "stdev": "1"
        },
        {
            "name": "SM06_EA.bo.",
            "index": "5",
            "type": "numeric",
            "distinct": "162",
            "missing": "0",
            "min": "4",
            "max": "10",
            "mean": "9",
            "stdev": "1"
        },
        {
            "name": "SpDiam_AEA.bo.",
            "index": "6",
            "type": "numeric",
            "distinct": "152",
            "missing": "0",
            "min": "4",
            "max": "6",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "SpMax2_Bh.p.",
            "index": "7",
            "type": "numeric",
            "distinct": "159",
            "missing": "0",
            "min": "2",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "SpMax3_Bh.e.",
            "index": "8",
            "type": "numeric",
            "distinct": "173",
            "missing": "0",
            "min": "2",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "SM13_EA.bo.",
            "index": "9",
            "type": "numeric",
            "distinct": "154",
            "missing": "0",
            "min": "0",
            "max": "21",
            "mean": "19",
            "stdev": "4"
        },
        {
            "name": "SM14_EA.bo.",
            "index": "10",
            "type": "numeric",
            "distinct": "158",
            "missing": "0",
            "min": "9",
            "max": "23",
            "mean": "21",
            "stdev": "2"
        },
        {
            "name": "SM15_EA.bo.",
            "index": "11",
            "type": "numeric",
            "distinct": "151",
            "missing": "0",
            "min": "0",
            "max": "24",
            "mean": "22",
            "stdev": "4"
        },
        {
            "name": "SM12_EA.bo.",
            "index": "12",
            "type": "numeric",
            "distinct": "154",
            "missing": "0",
            "min": "8",
            "max": "20",
            "mean": "18",
            "stdev": "2"
        },
        {
            "name": "SM09_EA.bo.",
            "index": "13",
            "type": "numeric",
            "distinct": "153",
            "missing": "0",
            "min": "0",
            "max": "15",
            "mean": "13",
            "stdev": "2"
        },
        {
            "name": "SM11_EA.bo.",
            "index": "14",
            "type": "numeric",
            "distinct": "154",
            "missing": "0",
            "min": "0",
            "max": "18",
            "mean": "16",
            "stdev": "3"
        },
        {
            "name": "SM10_EA.bo.",
            "index": "15",
            "type": "numeric",
            "distinct": "163",
            "missing": "0",
            "min": "7",
            "max": "16",
            "mean": "15",
            "stdev": "2"
        },
        {
            "name": "Eig03_EA.bo.",
            "index": "16",
            "type": "numeric",
            "distinct": "151",
            "missing": "0",
            "min": "-1",
            "max": "5",
            "mean": "3",
            "stdev": "1"
        },
        {
            "name": "SM13_AEA.ri.",
            "index": "17",
            "type": "numeric",
            "distinct": "151",
            "missing": "0",
            "min": "-1",
            "max": "5",
            "mean": "3",
            "stdev": "1"
        },
        {
            "name": "Eig03_AEA.bo.",
            "index": "18",
            "type": "numeric",
            "distinct": "155",
            "missing": "0",
            "min": "0",
            "max": "5",
            "mean": "4",
            "stdev": "1"
        },
        {
            "name": "SpMax3_Bh.i.",
            "index": "19",
            "type": "numeric",
            "distinct": "172",
            "missing": "0",
            "min": "2",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "SpMax3_Bh.p.",
            "index": "20",
            "type": "numeric",
            "distinct": "163",
            "missing": "0",
            "min": "2",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "SpMax3_Bh.v.",
            "index": "21",
            "type": "numeric",
            "distinct": "165",
            "missing": "0",
            "min": "2",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "SpMax3_Bh.m.",
            "index": "22",
            "type": "numeric",
            "distinct": "176",
            "missing": "0",
            "min": "2",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "SpMax4_Bh.m.",
            "index": "23",
            "type": "numeric",
            "distinct": "165",
            "missing": "0",
            "min": "1",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "SM04_EA.bo.",
            "index": "24",
            "type": "numeric",
            "distinct": "153",
            "missing": "0",
            "min": "3",
            "max": "8",
            "mean": "7",
            "stdev": "1"
        },
        {
            "name": "SM09_EA",
            "index": "25",
            "type": "numeric",
            "distinct": "152",
            "missing": "0",
            "min": "0",
            "max": "13",
            "mean": "11",
            "stdev": "2"
        },
        {
            "name": "SpMax4_Bh.p.",
            "index": "26",
            "type": "numeric",
            "distinct": "154",
            "missing": "0",
            "min": "1",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "GATS1e",
            "index": "27",
            "type": "numeric",
            "distinct": "147",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "X1v",
            "index": "28",
            "type": "numeric",
            "distinct": "185",
            "missing": "0",
            "min": "1",
            "max": "17",
            "mean": "7",
            "stdev": "3"
        },
        {
            "name": "SM06_AEA.bo.",
            "index": "29",
            "type": "numeric",
            "distinct": "155",
            "missing": "0",
            "min": "6",
            "max": "11",
            "mean": "10",
            "stdev": "1"
        },
        {
            "name": "SM10_EA",
            "index": "30",
            "type": "numeric",
            "distinct": "161",
            "missing": "0",
            "min": "7",
            "max": "14",
            "mean": "12",
            "stdev": "1"
        },
        {
            "name": "SpMax1_Bh.e.",
            "index": "31",
            "type": "numeric",
            "distinct": "132",
            "missing": "0",
            "min": "4",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "SdO",
            "index": "32",
            "type": "numeric",
            "distinct": "179",
            "missing": "0",
            "min": "0",
            "max": "61",
            "mean": "26",
            "stdev": "15"
        },
        {
            "name": "SddssS",
            "index": "33",
            "type": "numeric",
            "distinct": "124",
            "missing": "0",
            "min": "-9",
            "max": "0",
            "mean": "-3",
            "stdev": "3"
        },
        {
            "name": "P_VSA_e_3",
            "index": "34",
            "type": "numeric",
            "distinct": "64",
            "missing": "0",
            "min": "0",
            "max": "127",
            "mean": "49",
            "stdev": "34"
        },
        {
            "name": "P_VSA_i_4",
            "index": "35",
            "type": "numeric",
            "distinct": "73",
            "missing": "0",
            "min": "0",
            "max": "162",
            "mean": "52",
            "stdev": "37"
        },
        {
            "name": "Eig01_AEA.bo.",
            "index": "36",
            "type": "numeric",
            "distinct": "107",
            "missing": "0",
            "min": "3",
            "max": "5",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "SpMax_AEA.bo.",
            "index": "37",
            "type": "numeric",
            "distinct": "107",
            "missing": "0",
            "min": "3",
            "max": "5",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "D.Dtr05",
            "index": "38",
            "type": "numeric",
            "distinct": "73",
            "missing": "0",
            "min": "0",
            "max": "338",
            "mean": "33",
            "stdev": "52"
        },
        {
            "name": "ATS1m",
            "index": "39",
            "type": "numeric",
            "distinct": "163",
            "missing": "0",
            "min": "2",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "SpMax2_Bh.e.",
            "index": "40",
            "type": "numeric",
            "distinct": "159",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "X2v",
            "index": "41",
            "type": "numeric",
            "distinct": "195",
            "missing": "0",
            "min": "0",
            "max": "15",
            "mean": "6",
            "stdev": "3"
        },
        {
            "name": "X2sol",
            "index": "42",
            "type": "numeric",
            "distinct": "172",
            "missing": "0",
            "min": "2",
            "max": "24",
            "mean": "10",
            "stdev": "4"
        },
        {
            "name": "SM08_EA",
            "index": "43",
            "type": "numeric",
            "distinct": "158",
            "missing": "0",
            "min": "5",
            "max": "11",
            "mean": "10",
            "stdev": "1"
        },
        {
            "name": "SpMax4_Bh.e.",
            "index": "44",
            "type": "numeric",
            "distinct": "163",
            "missing": "0",
            "min": "2",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "SpMax4_Bh.v.",
            "index": "45",
            "type": "numeric",
            "distinct": "156",
            "missing": "0",
            "min": "1",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "SM05_AEA.bo.",
            "index": "46",
            "type": "numeric",
            "distinct": "154",
            "missing": "0",
            "min": "5",
            "max": "10",
            "mean": "8",
            "stdev": "1"
        },
        {
            "name": "SpDiam_AEA.ed.",
            "index": "47",
            "type": "numeric",
            "distinct": "140",
            "missing": "0",
            "min": "4",
            "max": "8",
            "mean": "7",
            "stdev": "1"
        },
        {
            "name": "SpMax1_Bh.i.",
            "index": "48",
            "type": "numeric",
            "distinct": "138",
            "missing": "0",
            "min": "4",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "SpMax1_Bh.v.",
            "index": "49",
            "type": "numeric",
            "distinct": "139",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "SM06_EA",
            "index": "50",
            "type": "numeric",
            "distinct": "158",
            "missing": "0",
            "min": "4",
            "max": "9",
            "mean": "8",
            "stdev": "1"
        },
        {
            "name": "MAXDN",
            "index": "51",
            "type": "numeric",
            "distinct": "180",
            "missing": "0",
            "min": "0",
            "max": "6",
            "mean": "4",
            "stdev": "1"
        },
        {
            "name": "SM12_EA",
            "index": "52",
            "type": "numeric",
            "distinct": "160",
            "missing": "0",
            "min": "8",
            "max": "17",
            "mean": "14",
            "stdev": "2"
        },
        {
            "name": "SM14_AEA.ed.",
            "index": "53",
            "type": "numeric",
            "distinct": "156",
            "missing": "0",
            "min": "18",
            "max": "30",
            "mean": "27",
            "stdev": "2"
        },
        {
            "name": "SM15_AEA.ed.",
            "index": "54",
            "type": "numeric",
            "distinct": "149",
            "missing": "0",
            "min": "20",
            "max": "33",
            "mean": "29",
            "stdev": "2"
        },
        {
            "name": "P_VSA_s_1",
            "index": "55",
            "type": "numeric",
            "distinct": "10",
            "missing": "0",
            "min": "0",
            "max": "15",
            "mean": "5",
            "stdev": "4"
        },
        {
            "name": "SM05_EA",
            "index": "56",
            "type": "numeric",
            "distinct": "80",
            "missing": "0",
            "min": "0",
            "max": "8",
            "mean": "6",
            "stdev": "1"
        },
        {
            "name": "SM13_EA.ed.",
            "index": "57",
            "type": "numeric",
            "distinct": "141",
            "missing": "0",
            "min": "0",
            "max": "38",
            "mean": "31",
            "stdev": "6"
        },
        {
            "name": "SM14_EA.ed.",
            "index": "58",
            "type": "numeric",
            "distinct": "148",
            "missing": "0",
            "min": "18",
            "max": "40",
            "mean": "34",
            "stdev": "4"
        },
        {
            "name": "SM15_EA.ed.",
            "index": "59",
            "type": "numeric",
            "distinct": "141",
            "missing": "0",
            "min": "0",
            "max": "43",
            "mean": "36",
            "stdev": "7"
        },
        {
            "name": "X3v",
            "index": "60",
            "type": "numeric",
            "distinct": "194",
            "missing": "0",
            "min": "0",
            "max": "10",
            "mean": "4",
            "stdev": "2"
        },
        {
            "name": "CATS2D_09_PL",
            "index": "61",
            "type": "numeric",
            "distinct": "6",
            "missing": "0",
            "min": "0",
            "max": "6",
            "mean": "0",
            "stdev": "1"
        },
        {
            "name": "SpMin3_Bh.i.",
            "index": "62",
            "type": "numeric",
            "distinct": "155",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "ZM2Mad",
            "index": "63",
            "type": "numeric",
            "distinct": "188",
            "missing": "0",
            "min": "19",
            "max": "449",
            "mean": "170",
            "stdev": "78"
        },
        {
            "name": "SM05_EA.ed.",
            "index": "64",
            "type": "numeric",
            "distinct": "148",
            "missing": "0",
            "min": "0",
            "max": "15",
            "mean": "12",
            "stdev": "2"
        },
        {
            "name": "SM06_EA.ed.",
            "index": "65",
            "type": "numeric",
            "distinct": "154",
            "missing": "0",
            "min": "8",
            "max": "18",
            "mean": "15",
            "stdev": "2"
        },
        {
            "name": "SM09_AEA.ed.",
            "index": "66",
            "type": "numeric",
            "distinct": "153",
            "missing": "0",
            "min": "12",
            "max": "20",
            "mean": "18",
            "stdev": "1"
        },
        {
            "name": "SM07_EA.ed.",
            "index": "67",
            "type": "numeric",
            "distinct": "153",
            "missing": "0",
            "min": "0",
            "max": "20",
            "mean": "17",
            "stdev": "3"
        },
        {
            "name": "SM08_EA.ed.",
            "index": "68",
            "type": "numeric",
            "distinct": "157",
            "missing": "0",
            "min": "11",
            "max": "23",
            "mean": "20",
            "stdev": "2"
        }
    ],
    "nr_of_issues": 0,
    "nr_of_downvotes": 0,
    "nr_of_likes": 0,
    "nr_of_downloads": 0,
    "total_downloads": 0,
    "reach": 0,
    "reuse": 0,
    "impact_of_reuse": 0,
    "reach_of_reuse": 0,
    "impact": 0
}