{
    "data_id": "35557",
    "name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL2721",
    "exact_name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL2721",
    "version": 12,
    "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: CHEMBL2721 (TID: 11538), and it has 84 rows and 63 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 18:22:15",
    "update_comment": null,
    "last_update": "2016-07-15 18:22:15",
    "licence": "Public",
    "status": "deactivated",
    "error_message": null,
    "url": "https:\/\/www.openml.org\/data\/download\/3561916\/data_52563.arff",
    "default_target_attribute": "pXC50",
    "row_id_attribute": "molecule_id",
    "ignore_attribute": null,
    "runs": 2,
    "suggest": {
        "input": [
            "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL2721",
            "This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL2721 (TID: 11538), and it has 84 rows and 63 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": 84,
        "NumberOfFeatures": 65,
        "NumberOfClasses": 0,
        "NumberOfMissingValues": 0,
        "NumberOfInstancesWithMissingValues": 0,
        "NumberOfNumericFeatures": 64,
        "NumberOfSymbolicFeatures": 1,
        "ClassEntropy": null,
        "MeanNoiseToSignalRatio": null,
        "Quartile2AttributeEntropy": null,
        "Dimensionality": 0.7738095238095238,
        "MeanNominalAttDistinctValues": null,
        "Quartile2KurtosisOfNumericAtts": 0.4104216548515105,
        "EquivalentNumberOfAtts": null,
        "MeanSkewnessOfNumericAtts": 0.5503603297247786,
        "Quartile2MeansOfNumericAtts": 1.0476190476190477,
        "MajorityClassPercentage": null,
        "MeanStdDevOfNumericAtts": 3.8212296791907345,
        "Quartile2MutualInformation": null,
        "MajorityClassSize": null,
        "MinAttributeEntropy": null,
        "Quartile2SkewnessOfNumericAtts": 0.27423535041269154,
        "MaxAttributeEntropy": null,
        "MinKurtosisOfNumericAtts": -2.049382716049383,
        "PercentageOfBinaryFeatures": 0,
        "Quartile2StdDevOfNumericAtts": 0.7952714601362436,
        "MaxKurtosisOfNumericAtts": 9.254776039215411,
        "MinMeansOfNumericAtts": -1.60075,
        "PercentageOfInstancesWithMissingValues": 0,
        "Quartile3AttributeEntropy": null,
        "MaxMeansOfNumericAtts": 125.02554761904761,
        "MinMutualInformation": null,
        "PercentageOfMissingValues": 0,
        "Quartile3KurtosisOfNumericAtts": 0.9749731384026614,
        "MaxMutualInformation": null,
        "MinNominalAttDistinctValues": null,
        "PercentageOfNumericFeatures": 98.46153846153847,
        "Quartile3MeansOfNumericAtts": 2.672107142857143,
        "MaxNominalAttDistinctValues": null,
        "MinSkewnessOfNumericAtts": -1.179022886299801,
        "PercentageOfSymbolicFeatures": 1.5384615384615385,
        "Quartile3MutualInformation": null,
        "MaxSkewnessOfNumericAtts": 1.9831593816282695,
        "MinStdDevOfNumericAtts": 0.005529493756648911,
        "Quartile1AttributeEntropy": null,
        "Quartile3SkewnessOfNumericAtts": 1.6938128343682708,
        "MaxStdDevOfNumericAtts": 47.742003228152754,
        "MinorityClassPercentage": null,
        "Quartile1KurtosisOfNumericAtts": -0.6085792974970891,
        "Quartile3StdDevOfNumericAtts": 1.3600110410735284,
        "MeanAttributeEntropy": null,
        "MinorityClassSize": null,
        "Quartile1MeansOfNumericAtts": 0.17857142857142852,
        "StdvNominalAttDistinctValues": null,
        "MeanKurtosisOfNumericAtts": 0.6948868628389727,
        "NumberOfBinaryFeatures": 0,
        "Quartile1MutualInformation": null,
        "MeanMeansOfNumericAtts": 8.957176339285715,
        "Quartile1SkewnessOfNumericAtts": -0.2251562726550435,
        "AutoCorrelation": 0.35437349397590373,
        "MeanMutualInformation": null,
        "Quartile1StdDevOfNumericAtts": 0.4168553482599103
    },
    "tags": [
        {
            "tag": "MetaQSAR",
            "uploader": "62"
        },
        {
            "tag": "study_13",
            "uploader": "62"
        }
    ],
    "features": [
        {
            "name": "pXC50",
            "index": "64",
            "type": "numeric",
            "distinct": "49",
            "missing": "0",
            "target": "1",
            "min": "3",
            "max": "7",
            "mean": "5",
            "stdev": "1"
        },
        {
            "name": "molecule_id",
            "index": "0",
            "type": "nominal",
            "distinct": "84",
            "missing": "0",
            "identifier": "1",
            "distr": []
        },
        {
            "name": "MAXDN",
            "index": "1",
            "type": "numeric",
            "distinct": "74",
            "missing": "0",
            "min": "2",
            "max": "6",
            "mean": "3",
            "stdev": "1"
        },
        {
            "name": "CATS2D_04_AN",
            "index": "2",
            "type": "numeric",
            "distinct": "3",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "JGI9",
            "index": "3",
            "type": "numeric",
            "distinct": "15",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "CATS2D_05_AA",
            "index": "4",
            "type": "numeric",
            "distinct": "3",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "CATS2D_04_AL",
            "index": "5",
            "type": "numeric",
            "distinct": "12",
            "missing": "0",
            "min": "0",
            "max": "15",
            "mean": "4",
            "stdev": "3"
        },
        {
            "name": "CATS2D_05_AL",
            "index": "6",
            "type": "numeric",
            "distinct": "14",
            "missing": "0",
            "min": "0",
            "max": "15",
            "mean": "4",
            "stdev": "3"
        },
        {
            "name": "SM03_EA.dm.",
            "index": "7",
            "type": "numeric",
            "distinct": "14",
            "missing": "0",
            "min": "0",
            "max": "4",
            "mean": "3",
            "stdev": "1"
        },
        {
            "name": "GATS7p",
            "index": "8",
            "type": "numeric",
            "distinct": "70",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "SdssC",
            "index": "9",
            "type": "numeric",
            "distinct": "76",
            "missing": "0",
            "min": "-4",
            "max": "2",
            "mean": "-2",
            "stdev": "1"
        },
        {
            "name": "MATS6s",
            "index": "10",
            "type": "numeric",
            "distinct": "71",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "ATSC3s",
            "index": "11",
            "type": "numeric",
            "distinct": "76",
            "missing": "0",
            "min": "40",
            "max": "366",
            "mean": "108",
            "stdev": "48"
        },
        {
            "name": "CATS2D_06_AL",
            "index": "12",
            "type": "numeric",
            "distinct": "14",
            "missing": "0",
            "min": "0",
            "max": "16",
            "mean": "3",
            "stdev": "4"
        },
        {
            "name": "PW5",
            "index": "13",
            "type": "numeric",
            "distinct": "44",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "CATS2D_06_DA",
            "index": "14",
            "type": "numeric",
            "distinct": "5",
            "missing": "0",
            "min": "0",
            "max": "4",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "CATS2D_04_DD",
            "index": "15",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "CATS2D_04_DP",
            "index": "16",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "1"
        },
        {
            "name": "Eig15_EA",
            "index": "17",
            "type": "numeric",
            "distinct": "43",
            "missing": "0",
            "min": "-2",
            "max": "1",
            "mean": "-1",
            "stdev": "1"
        },
        {
            "name": "Eig15_EA.ri.",
            "index": "18",
            "type": "numeric",
            "distinct": "46",
            "missing": "0",
            "min": "-2",
            "max": "1",
            "mean": "-1",
            "stdev": "1"
        },
        {
            "name": "SM09_AEA.dm.",
            "index": "19",
            "type": "numeric",
            "distinct": "43",
            "missing": "0",
            "min": "-2",
            "max": "1",
            "mean": "-1",
            "stdev": "1"
        },
        {
            "name": "C.017",
            "index": "20",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "0",
            "stdev": "1"
        },
        {
            "name": "C.019",
            "index": "21",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "C.020",
            "index": "22",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "CATS2D_01_AN",
            "index": "23",
            "type": "numeric",
            "distinct": "5",
            "missing": "0",
            "min": "0",
            "max": "4",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "CATS2D_01_DN",
            "index": "24",
            "type": "numeric",
            "distinct": "4",
            "missing": "0",
            "min": "0",
            "max": "3",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "CATS2D_03_DA",
            "index": "25",
            "type": "numeric",
            "distinct": "4",
            "missing": "0",
            "min": "0",
            "max": "3",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "CATS2D_04_AA",
            "index": "26",
            "type": "numeric",
            "distinct": "3",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "0",
            "stdev": "1"
        },
        {
            "name": "CATS2D_04_DN",
            "index": "27",
            "type": "numeric",
            "distinct": "4",
            "missing": "0",
            "min": "0",
            "max": "3",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "CATS2D_05_DD",
            "index": "28",
            "type": "numeric",
            "distinct": "3",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "GATS1s",
            "index": "29",
            "type": "numeric",
            "distinct": "68",
            "missing": "0",
            "min": "1",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "JGI1",
            "index": "30",
            "type": "numeric",
            "distinct": "44",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "MATS1e",
            "index": "31",
            "type": "numeric",
            "distinct": "55",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "N.074",
            "index": "32",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "nCconj",
            "index": "33",
            "type": "numeric",
            "distinct": "4",
            "missing": "0",
            "min": "0",
            "max": "4",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "nCIC",
            "index": "34",
            "type": "numeric",
            "distinct": "6",
            "missing": "0",
            "min": "0",
            "max": "5",
            "mean": "2",
            "stdev": "2"
        },
        {
            "name": "nCsp",
            "index": "35",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "NdssC",
            "index": "36",
            "type": "numeric",
            "distinct": "5",
            "missing": "0",
            "min": "1",
            "max": "6",
            "mean": "3",
            "stdev": "1"
        },
        {
            "name": "nRCN",
            "index": "37",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "nRCOOH",
            "index": "38",
            "type": "numeric",
            "distinct": "4",
            "missing": "0",
            "min": "0",
            "max": "3",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "nR.Cs",
            "index": "39",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "nR.Ct",
            "index": "40",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "0",
            "stdev": "1"
        },
        {
            "name": "nROH",
            "index": "41",
            "type": "numeric",
            "distinct": "4",
            "missing": "0",
            "min": "0",
            "max": "3",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "NRS",
            "index": "42",
            "type": "numeric",
            "distinct": "5",
            "missing": "0",
            "min": "0",
            "max": "4",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "NsOH",
            "index": "43",
            "type": "numeric",
            "distinct": "4",
            "missing": "0",
            "min": "0",
            "max": "3",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "nTB",
            "index": "44",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "NtN",
            "index": "45",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "NtsC",
            "index": "46",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "O.057",
            "index": "47",
            "type": "numeric",
            "distinct": "4",
            "missing": "0",
            "min": "0",
            "max": "3",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "P_VSA_e_5",
            "index": "48",
            "type": "numeric",
            "distinct": "16",
            "missing": "0",
            "min": "36",
            "max": "203",
            "mean": "114",
            "stdev": "44"
        },
        {
            "name": "P_VSA_m_3",
            "index": "49",
            "type": "numeric",
            "distinct": "25",
            "missing": "0",
            "min": "36",
            "max": "217",
            "mean": "122",
            "stdev": "45"
        },
        {
            "name": "P_VSA_MR_2",
            "index": "50",
            "type": "numeric",
            "distinct": "24",
            "missing": "0",
            "min": "25",
            "max": "227",
            "mean": "125",
            "stdev": "47"
        },
        {
            "name": "SM05_EA.dm.",
            "index": "51",
            "type": "numeric",
            "distinct": "18",
            "missing": "0",
            "min": "0",
            "max": "7",
            "mean": "4",
            "stdev": "1"
        },
        {
            "name": "SM07_EA.dm.",
            "index": "52",
            "type": "numeric",
            "distinct": "18",
            "missing": "0",
            "min": "0",
            "max": "9",
            "mean": "6",
            "stdev": "2"
        },
        {
            "name": "SM09_EA.dm.",
            "index": "53",
            "type": "numeric",
            "distinct": "20",
            "missing": "0",
            "min": "0",
            "max": "12",
            "mean": "8",
            "stdev": "2"
        },
        {
            "name": "SM11_EA.dm.",
            "index": "54",
            "type": "numeric",
            "distinct": "20",
            "missing": "0",
            "min": "0",
            "max": "15",
            "mean": "10",
            "stdev": "2"
        },
        {
            "name": "SM13_EA.dm.",
            "index": "55",
            "type": "numeric",
            "distinct": "20",
            "missing": "0",
            "min": "0",
            "max": "17",
            "mean": "12",
            "stdev": "3"
        },
        {
            "name": "SM15_EA.dm.",
            "index": "56",
            "type": "numeric",
            "distinct": "21",
            "missing": "0",
            "min": "0",
            "max": "20",
            "mean": "14",
            "stdev": "3"
        },
        {
            "name": "StN",
            "index": "57",
            "type": "numeric",
            "distinct": "16",
            "missing": "0",
            "min": "0",
            "max": "10",
            "mean": "2",
            "stdev": "4"
        },
        {
            "name": "StsC",
            "index": "58",
            "type": "numeric",
            "distinct": "16",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "0",
            "stdev": "1"
        },
        {
            "name": "X4v",
            "index": "59",
            "type": "numeric",
            "distinct": "75",
            "missing": "0",
            "min": "0",
            "max": "5",
            "mean": "2",
            "stdev": "1"
        },
        {
            "name": "GATS7s",
            "index": "60",
            "type": "numeric",
            "distinct": "75",
            "missing": "0",
            "min": "0",
            "max": "3",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "CATS2D_05_DA",
            "index": "61",
            "type": "numeric",
            "distinct": "4",
            "missing": "0",
            "min": "0",
            "max": "3",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "Eig15_EA.bo.",
            "index": "62",
            "type": "numeric",
            "distinct": "45",
            "missing": "0",
            "min": "-2",
            "max": "1",
            "mean": "-1",
            "stdev": "1"
        },
        {
            "name": "CATS2D_07_NL",
            "index": "63",
            "type": "numeric",
            "distinct": "6",
            "missing": "0",
            "min": "0",
            "max": "6",
            "mean": "1",
            "stdev": "1"
        }
    ],
    "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
}