{
    "data_id": "26730",
    "name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL4101",
    "exact_name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL4101",
    "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: CHEMBL4101 (TID: 11969), and it has 1246 rows and 43 features (not including molecule IDs and class feature: molecule_id and pXC50). The features represent Basic Molecular Descriptors which were generated from SMILES strings.  Missing value imputation was applied to this dataset (By choosing the Median).",
    "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": "2016-07-14 19:55:49",
    "update_comment": null,
    "last_update": "2016-07-14 19:55:49",
    "licence": "Public",
    "status": "deactivated",
    "error_message": null,
    "url": "https:\/\/www.openml.org\/data\/download\/3311327\/data_35365.arff",
    "default_target_attribute": "pXC50",
    "row_id_attribute": "molecule_id",
    "ignore_attribute": null,
    "runs": 1,
    "suggest": {
        "input": [
            "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL4101",
            "This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL4101 (TID: 11969), and it has 1246 rows and 43 features (not including molecule IDs and class feature: molecule_id and pXC50). The features represent Basic Molecular Descriptors which were generated from SMILES strings. Missing value imputation was applied to this dataset (By choosing the Median). "
        ],
        "weight": 5
    },
    "qualities": {
        "NumberOfInstances": 1246,
        "NumberOfFeatures": 45,
        "NumberOfClasses": 0,
        "NumberOfMissingValues": 0,
        "NumberOfInstancesWithMissingValues": 0,
        "NumberOfNumericFeatures": 44,
        "NumberOfSymbolicFeatures": 1,
        "MeanAttributeEntropy": null,
        "MinorityClassSize": null,
        "Quartile1MeansOfNumericAtts": 0.5568741974317817,
        "StdvNominalAttDistinctValues": null,
        "MeanKurtosisOfNumericAtts": 44.445379315155265,
        "NumberOfBinaryFeatures": 0,
        "Quartile1MutualInformation": null,
        "MeanMeansOfNumericAtts": 22.474065008025683,
        "Quartile1SkewnessOfNumericAtts": 1.1566117881265607,
        "MeanMutualInformation": null,
        "Quartile1StdDevOfNumericAtts": 0.3978022437683597,
        "AutoCorrelation": 0.17903453815261128,
        "MeanNoiseToSignalRatio": null,
        "Quartile2AttributeEntropy": null,
        "ClassEntropy": null,
        "MeanNominalAttDistinctValues": null,
        "Quartile2KurtosisOfNumericAtts": 9.591676674868234,
        "Dimensionality": 0.036115569823434994,
        "MeanSkewnessOfNumericAtts": 3.355455584002193,
        "Quartile2MeansOfNumericAtts": 4.934189406099514,
        "EquivalentNumberOfAtts": null,
        "MeanStdDevOfNumericAtts": 8.459030892634898,
        "Quartile2MutualInformation": null,
        "MajorityClassPercentage": null,
        "MinAttributeEntropy": null,
        "Quartile2SkewnessOfNumericAtts": 2.4666767758134887,
        "MajorityClassSize": null,
        "MinKurtosisOfNumericAtts": -0.23493530045838762,
        "PercentageOfBinaryFeatures": 0,
        "Quartile2StdDevOfNumericAtts": 3.2389048322627154,
        "MaxAttributeEntropy": null,
        "MaxKurtosisOfNumericAtts": 1246.0000000000016,
        "MinMeansOfNumericAtts": 0,
        "PercentageOfInstancesWithMissingValues": 0,
        "Quartile3AttributeEntropy": null,
        "MaxMeansOfNumericAtts": 389.18293739967896,
        "MinMutualInformation": null,
        "PercentageOfMissingValues": 0,
        "Quartile3KurtosisOfNumericAtts": 23.21052603282719,
        "MaxMutualInformation": null,
        "MinNominalAttDistinctValues": null,
        "PercentageOfNumericFeatures": 97.77777777777777,
        "Quartile3MeansOfNumericAtts": 29.94562600321028,
        "MaxNominalAttDistinctValues": null,
        "MinSkewnessOfNumericAtts": -0.697957346964221,
        "PercentageOfSymbolicFeatures": 2.2222222222222223,
        "Quartile3MutualInformation": null,
        "MaxSkewnessOfNumericAtts": 35.29872518944528,
        "MinStdDevOfNumericAtts": 0,
        "Quartile1AttributeEntropy": null,
        "Quartile3SkewnessOfNumericAtts": 3.8484078221051585,
        "MaxStdDevOfNumericAtts": 143.14753469535108,
        "MinorityClassPercentage": null,
        "Quartile1KurtosisOfNumericAtts": 2.212004194842816,
        "Quartile3StdDevOfNumericAtts": 9.334831358955212
    },
    "tags": [
        {
            "tag": "MetaQSAR",
            "uploader": "62"
        },
        {
            "tag": "study_13",
            "uploader": "62"
        }
    ],
    "features": [
        {
            "name": "pXC50",
            "index": "44",
            "type": "numeric",
            "distinct": "129",
            "missing": "0",
            "target": "1",
            "min": "4",
            "max": "9",
            "mean": "6",
            "stdev": "1"
        },
        {
            "name": "molecule_id",
            "index": "0",
            "type": "nominal",
            "distinct": "1246",
            "missing": "0",
            "identifier": "1",
            "distr": []
        },
        {
            "name": "AMW",
            "index": "1",
            "type": "numeric",
            "distinct": "876",
            "missing": "0",
            "min": "6",
            "max": "19",
            "mean": "8",
            "stdev": "1"
        },
        {
            "name": "C.",
            "index": "2",
            "type": "numeric",
            "distinct": "174",
            "missing": "0",
            "min": "28",
            "max": "56",
            "mean": "43",
            "stdev": "5"
        },
        {
            "name": "H.",
            "index": "3",
            "type": "numeric",
            "distinct": "207",
            "missing": "0",
            "min": "20",
            "max": "57",
            "mean": "40",
            "stdev": "6"
        },
        {
            "name": "Me",
            "index": "4",
            "type": "numeric",
            "distinct": "85",
            "missing": "0",
            "min": "1",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "Mi",
            "index": "5",
            "type": "numeric",
            "distinct": "81",
            "missing": "0",
            "min": "1",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "Mp",
            "index": "6",
            "type": "numeric",
            "distinct": "186",
            "missing": "0",
            "min": "1",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "Mv",
            "index": "7",
            "type": "numeric",
            "distinct": "191",
            "missing": "0",
            "min": "1",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "MW",
            "index": "8",
            "type": "numeric",
            "distinct": "1054",
            "missing": "0",
            "min": "151",
            "max": "1678",
            "mean": "389",
            "stdev": "143"
        },
        {
            "name": "N.",
            "index": "9",
            "type": "numeric",
            "distinct": "166",
            "missing": "0",
            "min": "0",
            "max": "33",
            "mean": "10",
            "stdev": "4"
        },
        {
            "name": "nAB",
            "index": "10",
            "type": "numeric",
            "distinct": "26",
            "missing": "0",
            "min": "0",
            "max": "34",
            "mean": "18",
            "stdev": "5"
        },
        {
            "name": "nAT",
            "index": "11",
            "type": "numeric",
            "distinct": "96",
            "missing": "0",
            "min": "13",
            "max": "241",
            "mean": "47",
            "stdev": "21"
        },
        {
            "name": "nB",
            "index": "12",
            "type": "numeric",
            "distinct": "1",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "nBM",
            "index": "13",
            "type": "numeric",
            "distinct": "31",
            "missing": "0",
            "min": "4",
            "max": "38",
            "mean": "19",
            "stdev": "5"
        },
        {
            "name": "nBO",
            "index": "14",
            "type": "numeric",
            "distinct": "64",
            "missing": "0",
            "min": "11",
            "max": "122",
            "mean": "31",
            "stdev": "11"
        },
        {
            "name": "nBR",
            "index": "15",
            "type": "numeric",
            "distinct": "3",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "nBT",
            "index": "16",
            "type": "numeric",
            "distinct": "101",
            "missing": "0",
            "min": "14",
            "max": "242",
            "mean": "50",
            "stdev": "21"
        },
        {
            "name": "nC",
            "index": "17",
            "type": "numeric",
            "distinct": "44",
            "missing": "0",
            "min": "4",
            "max": "69",
            "mean": "20",
            "stdev": "7"
        },
        {
            "name": "nCL",
            "index": "18",
            "type": "numeric",
            "distinct": "4",
            "missing": "0",
            "min": "0",
            "max": "3",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "nCsp",
            "index": "19",
            "type": "numeric",
            "distinct": "4",
            "missing": "0",
            "min": "0",
            "max": "3",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "nCsp2",
            "index": "20",
            "type": "numeric",
            "distinct": "27",
            "missing": "0",
            "min": "4",
            "max": "32",
            "mean": "16",
            "stdev": "5"
        },
        {
            "name": "nCsp3",
            "index": "21",
            "type": "numeric",
            "distinct": "32",
            "missing": "0",
            "min": "0",
            "max": "44",
            "mean": "4",
            "stdev": "5"
        },
        {
            "name": "nDB",
            "index": "22",
            "type": "numeric",
            "distinct": "15",
            "missing": "0",
            "min": "0",
            "max": "17",
            "mean": "1",
            "stdev": "2"
        },
        {
            "name": "nF",
            "index": "23",
            "type": "numeric",
            "distinct": "7",
            "missing": "0",
            "min": "0",
            "max": "6",
            "mean": "0",
            "stdev": "1"
        },
        {
            "name": "nH",
            "index": "24",
            "type": "numeric",
            "distinct": "60",
            "missing": "0",
            "min": "3",
            "max": "126",
            "mean": "20",
            "stdev": "11"
        },
        {
            "name": "nHet",
            "index": "25",
            "type": "numeric",
            "distinct": "30",
            "missing": "0",
            "min": "2",
            "max": "49",
            "mean": "8",
            "stdev": "4"
        },
        {
            "name": "nHM",
            "index": "26",
            "type": "numeric",
            "distinct": "5",
            "missing": "0",
            "min": "0",
            "max": "4",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "nI",
            "index": "27",
            "type": "numeric",
            "distinct": "3",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "nN",
            "index": "28",
            "type": "numeric",
            "distinct": "23",
            "missing": "0",
            "min": "0",
            "max": "34",
            "mean": "5",
            "stdev": "3"
        },
        {
            "name": "nO",
            "index": "29",
            "type": "numeric",
            "distinct": "15",
            "missing": "0",
            "min": "0",
            "max": "14",
            "mean": "2",
            "stdev": "2"
        },
        {
            "name": "nP",
            "index": "30",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "nS",
            "index": "31",
            "type": "numeric",
            "distinct": "4",
            "missing": "0",
            "min": "0",
            "max": "3",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "nSK",
            "index": "32",
            "type": "numeric",
            "distinct": "59",
            "missing": "0",
            "min": "10",
            "max": "118",
            "mean": "28",
            "stdev": "10"
        },
        {
            "name": "nTB",
            "index": "33",
            "type": "numeric",
            "distinct": "3",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "nX",
            "index": "34",
            "type": "numeric",
            "distinct": "7",
            "missing": "0",
            "min": "0",
            "max": "6",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "O.",
            "index": "35",
            "type": "numeric",
            "distinct": "115",
            "missing": "0",
            "min": "0",
            "max": "18",
            "mean": "4",
            "stdev": "3"
        },
        {
            "name": "RBF",
            "index": "36",
            "type": "numeric",
            "distinct": "167",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "RBN",
            "index": "37",
            "type": "numeric",
            "distinct": "30",
            "missing": "0",
            "min": "0",
            "max": "68",
            "mean": "5",
            "stdev": "6"
        },
        {
            "name": "SCBO",
            "index": "38",
            "type": "numeric",
            "distinct": "125",
            "missing": "0",
            "min": "16",
            "max": "150",
            "mean": "41",
            "stdev": "13"
        },
        {
            "name": "Se",
            "index": "39",
            "type": "numeric",
            "distinct": "1036",
            "missing": "0",
            "min": "14",
            "max": "243",
            "mean": "48",
            "stdev": "21"
        },
        {
            "name": "Si",
            "index": "40",
            "type": "numeric",
            "distinct": "1066",
            "missing": "0",
            "min": "15",
            "max": "279",
            "mean": "54",
            "stdev": "25"
        },
        {
            "name": "Sp",
            "index": "41",
            "type": "numeric",
            "distinct": "1005",
            "missing": "0",
            "min": "11",
            "max": "145",
            "mean": "32",
            "stdev": "13"
        },
        {
            "name": "Sv",
            "index": "42",
            "type": "numeric",
            "distinct": "1072",
            "missing": "0",
            "min": "10",
            "max": "137",
            "mean": "31",
            "stdev": "12"
        },
        {
            "name": "X.",
            "index": "43",
            "type": "numeric",
            "distinct": "85",
            "missing": "0",
            "min": "0",
            "max": "18",
            "mean": "2",
            "stdev": "3"
        }
    ],
    "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
}