{
    "data_id": "36297",
    "name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL1889",
    "exact_name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL1889",
    "version": 11,
    "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: CHEMBL1889 (TID: 134), and it has 878 rows and 69 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 20:44:09",
    "update_comment": null,
    "last_update": "2016-07-15 20:44:09",
    "licence": "Public",
    "status": "deactivated",
    "error_message": null,
    "url": "https:\/\/www.openml.org\/data\/download\/3584509\/data_53606.arff",
    "default_target_attribute": "pXC50",
    "row_id_attribute": "molecule_id",
    "ignore_attribute": null,
    "runs": 2,
    "suggest": {
        "input": [
            "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL1889",
            "This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL1889 (TID: 134), and it has 878 rows and 69 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": 878,
        "NumberOfFeatures": 71,
        "NumberOfClasses": 0,
        "NumberOfMissingValues": 0,
        "NumberOfInstancesWithMissingValues": 0,
        "NumberOfNumericFeatures": 70,
        "NumberOfSymbolicFeatures": 1,
        "Quartile3AttributeEntropy": null,
        "MaxKurtosisOfNumericAtts": 10.618342600276552,
        "MinMeansOfNumericAtts": -1.9634020501138958,
        "PercentageOfInstancesWithMissingValues": 0,
        "Quartile3KurtosisOfNumericAtts": 1.8568351556699911,
        "MaxMeansOfNumericAtts": 246.8978701594533,
        "MinMutualInformation": null,
        "PercentageOfMissingValues": 0,
        "Quartile3MeansOfNumericAtts": 9.20155410022779,
        "MaxMutualInformation": null,
        "MinNominalAttDistinctValues": null,
        "PercentageOfNumericFeatures": 98.59154929577466,
        "Quartile3MutualInformation": null,
        "MaxNominalAttDistinctValues": null,
        "MinSkewnessOfNumericAtts": -1.8340708571619821,
        "PercentageOfSymbolicFeatures": 1.4084507042253522,
        "Quartile3SkewnessOfNumericAtts": 1.6001149495937397,
        "MaxSkewnessOfNumericAtts": 3.0931539695240606,
        "MinStdDevOfNumericAtts": 0.0533270226371225,
        "Quartile1AttributeEntropy": null,
        "Quartile3StdDevOfNumericAtts": 3.494419699496744,
        "MaxStdDevOfNumericAtts": 266.748930077411,
        "MinorityClassPercentage": null,
        "Quartile1KurtosisOfNumericAtts": -0.05514807302355984,
        "StdvNominalAttDistinctValues": null,
        "MeanAttributeEntropy": null,
        "MinorityClassSize": null,
        "Quartile1MeansOfNumericAtts": 1.4079330865603645,
        "MeanKurtosisOfNumericAtts": 1.0411543556548044,
        "NumberOfBinaryFeatures": 0,
        "Quartile1MutualInformation": null,
        "MeanMeansOfNumericAtts": 19.69021976895542,
        "Quartile1SkewnessOfNumericAtts": 0.001657174979077608,
        "AutoCorrelation": -0.03389053591790075,
        "MeanMutualInformation": null,
        "Quartile1StdDevOfNumericAtts": 0.4208892676623817,
        "ClassEntropy": null,
        "MeanNoiseToSignalRatio": null,
        "Quartile2AttributeEntropy": null,
        "Dimensionality": 0.08086560364464693,
        "MeanNominalAttDistinctValues": null,
        "Quartile2KurtosisOfNumericAtts": 0.4339456367519916,
        "EquivalentNumberOfAtts": null,
        "MeanSkewnessOfNumericAtts": 0.7168857109643739,
        "Quartile2MeansOfNumericAtts": 3.9259681093394048,
        "MajorityClassPercentage": null,
        "MeanStdDevOfNumericAtts": 15.126667957150602,
        "Quartile2MutualInformation": null,
        "MajorityClassSize": null,
        "MinAttributeEntropy": null,
        "Quartile2SkewnessOfNumericAtts": 0.4720172166691121,
        "Quartile2StdDevOfNumericAtts": 0.7183071920483362,
        "MaxAttributeEntropy": null,
        "MinKurtosisOfNumericAtts": -1.3799867058431565,
        "PercentageOfBinaryFeatures": 0
    },
    "tags": [
        {
            "tag": "MetaQSAR",
            "uploader": "62"
        },
        {
            "tag": "study_13",
            "uploader": "62"
        }
    ],
    "features": [
        {
            "name": "pXC50",
            "index": "70",
            "type": "numeric",
            "distinct": "593",
            "missing": "0",
            "target": "1",
            "min": "4",
            "max": "10",
            "mean": "7",
            "stdev": "1"
        },
        {
            "name": "molecule_id",
            "index": "0",
            "type": "nominal",
            "distinct": "878",
            "missing": "0",
            "identifier": "1",
            "distr": []
        },
        {
            "name": "SM06_EA.ri.",
            "index": "1",
            "type": "numeric",
            "distinct": "614",
            "missing": "0",
            "min": "7",
            "max": "10",
            "mean": "8",
            "stdev": "0"
        },
        {
            "name": "MAXDP",
            "index": "2",
            "type": "numeric",
            "distinct": "693",
            "missing": "0",
            "min": "0",
            "max": "9",
            "mean": "6",
            "stdev": "2"
        },
        {
            "name": "GGI10",
            "index": "3",
            "type": "numeric",
            "distinct": "376",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "Eig04_AEA.ed.",
            "index": "4",
            "type": "numeric",
            "distinct": "378",
            "missing": "0",
            "min": "4",
            "max": "7",
            "mean": "6",
            "stdev": "0"
        },
        {
            "name": "SM07_EA.ri.",
            "index": "5",
            "type": "numeric",
            "distinct": "593",
            "missing": "0",
            "min": "7",
            "max": "11",
            "mean": "9",
            "stdev": "0"
        },
        {
            "name": "SM05_EA.ri.",
            "index": "6",
            "type": "numeric",
            "distinct": "548",
            "missing": "0",
            "min": "5",
            "max": "8",
            "mean": "7",
            "stdev": "0"
        },
        {
            "name": "Eig05_AEA.ri.",
            "index": "7",
            "type": "numeric",
            "distinct": "484",
            "missing": "0",
            "min": "2",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "Eig03_EA.dm.",
            "index": "8",
            "type": "numeric",
            "distinct": "103",
            "missing": "0",
            "min": "0",
            "max": "3",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "SpMin6_Bh.e.",
            "index": "9",
            "type": "numeric",
            "distinct": "383",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "Eig06_AEA.dm.",
            "index": "10",
            "type": "numeric",
            "distinct": "449",
            "missing": "0",
            "min": "1",
            "max": "4",
            "mean": "3",
            "stdev": "1"
        },
        {
            "name": "SM08_EA.ri.",
            "index": "11",
            "type": "numeric",
            "distinct": "611",
            "missing": "0",
            "min": "9",
            "max": "12",
            "mean": "10",
            "stdev": "0"
        },
        {
            "name": "SpMin6_Bh.i.",
            "index": "12",
            "type": "numeric",
            "distinct": "395",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "S2K",
            "index": "13",
            "type": "numeric",
            "distinct": "644",
            "missing": "0",
            "min": "4",
            "max": "50",
            "mean": "14",
            "stdev": "9"
        },
        {
            "name": "Eig04_AEA.dm.",
            "index": "14",
            "type": "numeric",
            "distinct": "404",
            "missing": "0",
            "min": "2",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "Eig12_EA.dm.",
            "index": "15",
            "type": "numeric",
            "distinct": "28",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "Eig09_EA.dm.",
            "index": "16",
            "type": "numeric",
            "distinct": "50",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "0",
            "stdev": "1"
        },
        {
            "name": "SpMin7_Bh.p.",
            "index": "17",
            "type": "numeric",
            "distinct": "398",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "C.008",
            "index": "18",
            "type": "numeric",
            "distinct": "10",
            "missing": "0",
            "min": "0",
            "max": "9",
            "mean": "2",
            "stdev": "3"
        },
        {
            "name": "SpAD_EA.dm.",
            "index": "19",
            "type": "numeric",
            "distinct": "335",
            "missing": "0",
            "min": "0",
            "max": "83",
            "mean": "17",
            "stdev": "16"
        },
        {
            "name": "Eig12_AEA.dm.",
            "index": "20",
            "type": "numeric",
            "distinct": "368",
            "missing": "0",
            "min": "-1",
            "max": "4",
            "mean": "2",
            "stdev": "1"
        },
        {
            "name": "Eig05_EA.dm.",
            "index": "21",
            "type": "numeric",
            "distinct": "104",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "SIC1",
            "index": "22",
            "type": "numeric",
            "distinct": "237",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "GGI7",
            "index": "23",
            "type": "numeric",
            "distinct": "468",
            "missing": "0",
            "min": "0",
            "max": "6",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "DLS_02",
            "index": "24",
            "type": "numeric",
            "distinct": "7",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "SM02_EA.dm.",
            "index": "25",
            "type": "numeric",
            "distinct": "304",
            "missing": "0",
            "min": "0",
            "max": "5",
            "mean": "3",
            "stdev": "1"
        },
        {
            "name": "Eig05_EA.ed.",
            "index": "26",
            "type": "numeric",
            "distinct": "522",
            "missing": "0",
            "min": "3",
            "max": "11",
            "mean": "8",
            "stdev": "1"
        },
        {
            "name": "SM14_AEA.dm.",
            "index": "27",
            "type": "numeric",
            "distinct": "522",
            "missing": "0",
            "min": "3",
            "max": "11",
            "mean": "8",
            "stdev": "1"
        },
        {
            "name": "Eig04_EA.ed.",
            "index": "28",
            "type": "numeric",
            "distinct": "470",
            "missing": "0",
            "min": "3",
            "max": "12",
            "mean": "8",
            "stdev": "1"
        },
        {
            "name": "SM13_AEA.dm.",
            "index": "29",
            "type": "numeric",
            "distinct": "470",
            "missing": "0",
            "min": "3",
            "max": "12",
            "mean": "8",
            "stdev": "1"
        },
        {
            "name": "Eig05_AEA.dm.",
            "index": "30",
            "type": "numeric",
            "distinct": "426",
            "missing": "0",
            "min": "1",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "Eig11_EA.dm.",
            "index": "31",
            "type": "numeric",
            "distinct": "31",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "0",
            "stdev": "1"
        },
        {
            "name": "PHI",
            "index": "32",
            "type": "numeric",
            "distinct": "670",
            "missing": "0",
            "min": "3",
            "max": "42",
            "mean": "11",
            "stdev": "8"
        },
        {
            "name": "Psi_i_s",
            "index": "33",
            "type": "numeric",
            "distinct": "597",
            "missing": "0",
            "min": "34",
            "max": "374",
            "mean": "105",
            "stdev": "54"
        },
        {
            "name": "Eig09_AEA.dm.",
            "index": "34",
            "type": "numeric",
            "distinct": "484",
            "missing": "0",
            "min": "0",
            "max": "4",
            "mean": "2",
            "stdev": "1"
        },
        {
            "name": "S3K",
            "index": "35",
            "type": "numeric",
            "distinct": "700",
            "missing": "0",
            "min": "2",
            "max": "33",
            "mean": "8",
            "stdev": "6"
        },
        {
            "name": "ATS7m",
            "index": "36",
            "type": "numeric",
            "distinct": "668",
            "missing": "0",
            "min": "3",
            "max": "6",
            "mean": "4",
            "stdev": "1"
        },
        {
            "name": "SpMax5_Bh.s.",
            "index": "37",
            "type": "numeric",
            "distinct": "350",
            "missing": "0",
            "min": "4",
            "max": "8",
            "mean": "5",
            "stdev": "1"
        },
        {
            "name": "SpMax7_Bh.s.",
            "index": "38",
            "type": "numeric",
            "distinct": "375",
            "missing": "0",
            "min": "3",
            "max": "7",
            "mean": "5",
            "stdev": "1"
        },
        {
            "name": "Eig08_AEA.dm.",
            "index": "39",
            "type": "numeric",
            "distinct": "473",
            "missing": "0",
            "min": "0",
            "max": "4",
            "mean": "2",
            "stdev": "1"
        },
        {
            "name": "Eig07_EA.dm.",
            "index": "40",
            "type": "numeric",
            "distinct": "73",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "0",
            "stdev": "1"
        },
        {
            "name": "ATSC5s",
            "index": "41",
            "type": "numeric",
            "distinct": "828",
            "missing": "0",
            "min": "11",
            "max": "928",
            "mean": "205",
            "stdev": "201"
        },
        {
            "name": "Eig05_AEA.ed.",
            "index": "42",
            "type": "numeric",
            "distinct": "433",
            "missing": "0",
            "min": "4",
            "max": "7",
            "mean": "6",
            "stdev": "0"
        },
        {
            "name": "BIC1",
            "index": "43",
            "type": "numeric",
            "distinct": "212",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "Eig13_EA.dm.",
            "index": "44",
            "type": "numeric",
            "distinct": "29",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "SpMax5_Bh.e.",
            "index": "45",
            "type": "numeric",
            "distinct": "392",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "TIE",
            "index": "46",
            "type": "numeric",
            "distinct": "831",
            "missing": "0",
            "min": "17",
            "max": "1005",
            "mean": "168",
            "stdev": "189"
        },
        {
            "name": "X4sol",
            "index": "47",
            "type": "numeric",
            "distinct": "689",
            "missing": "0",
            "min": "3",
            "max": "44",
            "mean": "13",
            "stdev": "5"
        },
        {
            "name": "CATS2D_08_DL",
            "index": "48",
            "type": "numeric",
            "distinct": "31",
            "missing": "0",
            "min": "0",
            "max": "34",
            "mean": "4",
            "stdev": "6"
        },
        {
            "name": "Eig10_EA.dm.",
            "index": "49",
            "type": "numeric",
            "distinct": "40",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "0",
            "stdev": "1"
        },
        {
            "name": "MWC08",
            "index": "50",
            "type": "numeric",
            "distinct": "541",
            "missing": "0",
            "min": "9",
            "max": "12",
            "mean": "11",
            "stdev": "0"
        },
        {
            "name": "Ram",
            "index": "51",
            "type": "numeric",
            "distinct": "38",
            "missing": "0",
            "min": "2",
            "max": "56",
            "mean": "15",
            "stdev": "6"
        },
        {
            "name": "Eig07_AEA.dm.",
            "index": "52",
            "type": "numeric",
            "distinct": "484",
            "missing": "0",
            "min": "1",
            "max": "4",
            "mean": "3",
            "stdev": "1"
        },
        {
            "name": "CIC3",
            "index": "53",
            "type": "numeric",
            "distinct": "543",
            "missing": "0",
            "min": "0",
            "max": "3",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "ATSC8s",
            "index": "54",
            "type": "numeric",
            "distinct": "818",
            "missing": "0",
            "min": "7",
            "max": "1385",
            "mean": "221",
            "stdev": "267"
        },
        {
            "name": "CATS2D_05_AA",
            "index": "55",
            "type": "numeric",
            "distinct": "14",
            "missing": "0",
            "min": "0",
            "max": "13",
            "mean": "4",
            "stdev": "4"
        },
        {
            "name": "Eig08_EA.dm.",
            "index": "56",
            "type": "numeric",
            "distinct": "63",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "0",
            "stdev": "1"
        },
        {
            "name": "NsssCH",
            "index": "57",
            "type": "numeric",
            "distinct": "13",
            "missing": "0",
            "min": "0",
            "max": "12",
            "mean": "3",
            "stdev": "3"
        },
        {
            "name": "MWC07",
            "index": "58",
            "type": "numeric",
            "distinct": "519",
            "missing": "0",
            "min": "8",
            "max": "11",
            "mean": "10",
            "stdev": "0"
        },
        {
            "name": "P_VSA_m_2",
            "index": "59",
            "type": "numeric",
            "distinct": "714",
            "missing": "0",
            "min": "74",
            "max": "779",
            "mean": "247",
            "stdev": "120"
        },
        {
            "name": "DELS",
            "index": "60",
            "type": "numeric",
            "distinct": "831",
            "missing": "0",
            "min": "3",
            "max": "344",
            "mean": "66",
            "stdev": "54"
        },
        {
            "name": "ATSC2s",
            "index": "61",
            "type": "numeric",
            "distinct": "802",
            "missing": "0",
            "min": "9",
            "max": "408",
            "mean": "73",
            "stdev": "62"
        },
        {
            "name": "SM03_EA.dm.",
            "index": "62",
            "type": "numeric",
            "distinct": "120",
            "missing": "0",
            "min": "0",
            "max": "5",
            "mean": "2",
            "stdev": "1"
        },
        {
            "name": "SdssC",
            "index": "63",
            "type": "numeric",
            "distinct": "616",
            "missing": "0",
            "min": "-18",
            "max": "4",
            "mean": "-2",
            "stdev": "3"
        },
        {
            "name": "MWC09",
            "index": "64",
            "type": "numeric",
            "distinct": "542",
            "missing": "0",
            "min": "10",
            "max": "13",
            "mean": "12",
            "stdev": "0"
        },
        {
            "name": "CATS2D_08_DA",
            "index": "65",
            "type": "numeric",
            "distinct": "19",
            "missing": "0",
            "min": "0",
            "max": "25",
            "mean": "3",
            "stdev": "5"
        },
        {
            "name": "SpMax6_Bh.s.",
            "index": "66",
            "type": "numeric",
            "distinct": "380",
            "missing": "0",
            "min": "4",
            "max": "8",
            "mean": "5",
            "stdev": "1"
        },
        {
            "name": "H.052",
            "index": "67",
            "type": "numeric",
            "distinct": "23",
            "missing": "0",
            "min": "0",
            "max": "34",
            "mean": "5",
            "stdev": "5"
        },
        {
            "name": "CIC2",
            "index": "68",
            "type": "numeric",
            "distinct": "604",
            "missing": "0",
            "min": "0",
            "max": "3",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "SM09_EA.ri.",
            "index": "69",
            "type": "numeric",
            "distinct": "611",
            "missing": "0",
            "min": "9",
            "max": "13",
            "mean": "11",
            "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
}