{
    "data_id": "31506",
    "name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL2870",
    "exact_name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL2870",
    "version": 10,
    "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: CHEMBL2870 (TID: 12818), and it has 86 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 07:45:22",
    "update_comment": null,
    "last_update": "2016-07-15 07:45:22",
    "licence": "Public",
    "status": "deactivated",
    "error_message": null,
    "url": "https:\/\/www.openml.org\/data\/download\/3451418\/data_52569.arff",
    "default_target_attribute": "pXC50",
    "row_id_attribute": "molecule_id",
    "ignore_attribute": null,
    "runs": 2,
    "suggest": {
        "input": [
            "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL2870",
            "This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL2870 (TID: 12818), and it has 86 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": 86,
        "NumberOfFeatures": 65,
        "NumberOfClasses": 0,
        "NumberOfMissingValues": 0,
        "NumberOfInstancesWithMissingValues": 0,
        "NumberOfNumericFeatures": 64,
        "NumberOfSymbolicFeatures": 1,
        "Quartile3AttributeEntropy": null,
        "MaxKurtosisOfNumericAtts": 9.012120729662442,
        "MinMeansOfNumericAtts": -0.027651162790697667,
        "PercentageOfInstancesWithMissingValues": 0,
        "Quartile3KurtosisOfNumericAtts": 0.3828156161257419,
        "MaxMeansOfNumericAtts": 18.80143023255814,
        "MinMutualInformation": null,
        "PercentageOfMissingValues": 0,
        "Quartile3MeansOfNumericAtts": 3.774877906976744,
        "MaxMutualInformation": null,
        "MinNominalAttDistinctValues": null,
        "PercentageOfNumericFeatures": 98.46153846153847,
        "Quartile3MutualInformation": null,
        "MaxNominalAttDistinctValues": null,
        "MinSkewnessOfNumericAtts": -1.0188576077133715,
        "PercentageOfSymbolicFeatures": 1.5384615384615385,
        "Quartile3SkewnessOfNumericAtts": 1.0507599511510328,
        "MaxSkewnessOfNumericAtts": 2.630884986805827,
        "MinStdDevOfNumericAtts": 0.021031915035688013,
        "Quartile1AttributeEntropy": null,
        "Quartile3StdDevOfNumericAtts": 0.9918075536670758,
        "MaxStdDevOfNumericAtts": 12.066127899343291,
        "MinorityClassPercentage": null,
        "Quartile1KurtosisOfNumericAtts": -0.7966602587811562,
        "StdvNominalAttDistinctValues": null,
        "MeanAttributeEntropy": null,
        "MinorityClassSize": null,
        "Quartile1MeansOfNumericAtts": 1.1395348837209307,
        "MeanKurtosisOfNumericAtts": -0.003268701463824686,
        "NumberOfBinaryFeatures": 0,
        "Quartile1MutualInformation": null,
        "MeanMeansOfNumericAtts": 2.7009305959302328,
        "Quartile1SkewnessOfNumericAtts": -0.39607037480824375,
        "AutoCorrelation": 0.3511529411764707,
        "MeanMutualInformation": null,
        "Quartile1StdDevOfNumericAtts": 0.28258717309304193,
        "ClassEntropy": null,
        "MeanNoiseToSignalRatio": null,
        "Quartile2AttributeEntropy": null,
        "Dimensionality": 0.7558139534883721,
        "MeanNominalAttDistinctValues": null,
        "Quartile2KurtosisOfNumericAtts": -0.5194924316107548,
        "EquivalentNumberOfAtts": null,
        "MeanSkewnessOfNumericAtts": 0.22261823469313705,
        "Quartile2MeansOfNumericAtts": 2.1152383720930237,
        "MajorityClassPercentage": null,
        "MeanStdDevOfNumericAtts": 0.8834437516103816,
        "Quartile2MutualInformation": null,
        "MajorityClassSize": null,
        "MinAttributeEntropy": null,
        "Quartile2SkewnessOfNumericAtts": -0.19510897509314726,
        "Quartile2StdDevOfNumericAtts": 0.3960037810300746,
        "MaxAttributeEntropy": null,
        "MinKurtosisOfNumericAtts": -1.4753053933498468,
        "PercentageOfBinaryFeatures": 0
    },
    "tags": [
        {
            "tag": "MetaQSAR",
            "uploader": "62"
        },
        {
            "tag": "study_13",
            "uploader": "62"
        }
    ],
    "features": [
        {
            "name": "pXC50",
            "index": "64",
            "type": "numeric",
            "distinct": "68",
            "missing": "0",
            "target": "1",
            "min": "4",
            "max": "9",
            "mean": "5",
            "stdev": "1"
        },
        {
            "name": "molecule_id",
            "index": "0",
            "type": "nominal",
            "distinct": "86",
            "missing": "0",
            "identifier": "1",
            "distr": []
        },
        {
            "name": "Eig07_AEA.bo.",
            "index": "1",
            "type": "numeric",
            "distinct": "65",
            "missing": "0",
            "min": "2",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "Eig07_AEA.dm.",
            "index": "2",
            "type": "numeric",
            "distinct": "56",
            "missing": "0",
            "min": "1",
            "max": "3",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "CATS2D_03_PL",
            "index": "3",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "CATS2D_06_PL",
            "index": "4",
            "type": "numeric",
            "distinct": "3",
            "missing": "0",
            "min": "0",
            "max": "3",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "Eig07_AEA.ri.",
            "index": "5",
            "type": "numeric",
            "distinct": "76",
            "missing": "0",
            "min": "2",
            "max": "3",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "Eig07_EA",
            "index": "6",
            "type": "numeric",
            "distinct": "69",
            "missing": "0",
            "min": "1",
            "max": "2",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "Eig07_EA.ri.",
            "index": "7",
            "type": "numeric",
            "distinct": "72",
            "missing": "0",
            "min": "1",
            "max": "2",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "Eig08_AEA.bo.",
            "index": "8",
            "type": "numeric",
            "distinct": "67",
            "missing": "0",
            "min": "2",
            "max": "3",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "Eig08_AEA.ri.",
            "index": "9",
            "type": "numeric",
            "distinct": "71",
            "missing": "0",
            "min": "2",
            "max": "3",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "Eig08_EA",
            "index": "10",
            "type": "numeric",
            "distinct": "64",
            "missing": "0",
            "min": "1",
            "max": "2",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "Eig08_EA.ed.",
            "index": "11",
            "type": "numeric",
            "distinct": "64",
            "missing": "0",
            "min": "2",
            "max": "6",
            "mean": "4",
            "stdev": "1"
        },
        {
            "name": "SM02_AEA.dm.",
            "index": "12",
            "type": "numeric",
            "distinct": "64",
            "missing": "0",
            "min": "1",
            "max": "2",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "SM03_AEA.ri.",
            "index": "13",
            "type": "numeric",
            "distinct": "64",
            "missing": "0",
            "min": "2",
            "max": "6",
            "mean": "4",
            "stdev": "1"
        },
        {
            "name": "SM15_AEA.bo.",
            "index": "14",
            "type": "numeric",
            "distinct": "69",
            "missing": "0",
            "min": "1",
            "max": "2",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "Eig05_EA",
            "index": "15",
            "type": "numeric",
            "distinct": "59",
            "missing": "0",
            "min": "2",
            "max": "3",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "SM13_AEA.bo.",
            "index": "16",
            "type": "numeric",
            "distinct": "59",
            "missing": "0",
            "min": "2",
            "max": "3",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "Eig08_EA.bo.",
            "index": "17",
            "type": "numeric",
            "distinct": "67",
            "missing": "0",
            "min": "1",
            "max": "3",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "Eig09_AEA.bo.",
            "index": "18",
            "type": "numeric",
            "distinct": "60",
            "missing": "0",
            "min": "2",
            "max": "3",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "SpMax3_Bh.v.",
            "index": "19",
            "type": "numeric",
            "distinct": "70",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "Eig07_EA.ed.",
            "index": "20",
            "type": "numeric",
            "distinct": "68",
            "missing": "0",
            "min": "3",
            "max": "6",
            "mean": "5",
            "stdev": "1"
        },
        {
            "name": "SM02_AEA.ri.",
            "index": "21",
            "type": "numeric",
            "distinct": "68",
            "missing": "0",
            "min": "3",
            "max": "6",
            "mean": "5",
            "stdev": "1"
        },
        {
            "name": "MATS2m",
            "index": "22",
            "type": "numeric",
            "distinct": "57",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "SpMax3_Bh.s.",
            "index": "23",
            "type": "numeric",
            "distinct": "35",
            "missing": "0",
            "min": "5",
            "max": "8",
            "mean": "6",
            "stdev": "1"
        },
        {
            "name": "Eig07_EA.bo.",
            "index": "24",
            "type": "numeric",
            "distinct": "59",
            "missing": "0",
            "min": "1",
            "max": "3",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "Eig08_EA.ri.",
            "index": "25",
            "type": "numeric",
            "distinct": "67",
            "missing": "0",
            "min": "1",
            "max": "2",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "Eig12_AEA.ed.",
            "index": "26",
            "type": "numeric",
            "distinct": "53",
            "missing": "0",
            "min": "2",
            "max": "4",
            "mean": "3",
            "stdev": "1"
        },
        {
            "name": "ATS6v",
            "index": "27",
            "type": "numeric",
            "distinct": "82",
            "missing": "0",
            "min": "3",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "Eig11_AEA.ed.",
            "index": "28",
            "type": "numeric",
            "distinct": "64",
            "missing": "0",
            "min": "2",
            "max": "4",
            "mean": "3",
            "stdev": "1"
        },
        {
            "name": "C.019",
            "index": "29",
            "type": "numeric",
            "distinct": "3",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "0",
            "stdev": "1"
        },
        {
            "name": "C.040",
            "index": "30",
            "type": "numeric",
            "distinct": "4",
            "missing": "0",
            "min": "0",
            "max": "4",
            "mean": "2",
            "stdev": "1"
        },
        {
            "name": "CATS2D_05_PL",
            "index": "31",
            "type": "numeric",
            "distinct": "3",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "0",
            "stdev": "1"
        },
        {
            "name": "CATS2D_06_AL",
            "index": "32",
            "type": "numeric",
            "distinct": "18",
            "missing": "0",
            "min": "0",
            "max": "23",
            "mean": "7",
            "stdev": "6"
        },
        {
            "name": "Eig08_AEA.dm.",
            "index": "33",
            "type": "numeric",
            "distinct": "58",
            "missing": "0",
            "min": "1",
            "max": "3",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "Eig08_AEA.ed.",
            "index": "34",
            "type": "numeric",
            "distinct": "60",
            "missing": "0",
            "min": "3",
            "max": "5",
            "mean": "4",
            "stdev": "1"
        },
        {
            "name": "Eig10_AEA.ed.",
            "index": "35",
            "type": "numeric",
            "distinct": "66",
            "missing": "0",
            "min": "3",
            "max": "5",
            "mean": "4",
            "stdev": "1"
        },
        {
            "name": "MAXDP",
            "index": "36",
            "type": "numeric",
            "distinct": "84",
            "missing": "0",
            "min": "2",
            "max": "7",
            "mean": "5",
            "stdev": "1"
        },
        {
            "name": "N.068",
            "index": "37",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "nCconj",
            "index": "38",
            "type": "numeric",
            "distinct": "4",
            "missing": "0",
            "min": "0",
            "max": "4",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "nDB",
            "index": "39",
            "type": "numeric",
            "distinct": "5",
            "missing": "0",
            "min": "0",
            "max": "5",
            "mean": "2",
            "stdev": "2"
        },
        {
            "name": "NdssC",
            "index": "40",
            "type": "numeric",
            "distinct": "5",
            "missing": "0",
            "min": "0",
            "max": "6",
            "mean": "2",
            "stdev": "2"
        },
        {
            "name": "nRCONH2",
            "index": "41",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "nR.Cs",
            "index": "42",
            "type": "numeric",
            "distinct": "3",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "0",
            "stdev": "1"
        },
        {
            "name": "nRNR2",
            "index": "43",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "SdO",
            "index": "44",
            "type": "numeric",
            "distinct": "79",
            "missing": "0",
            "min": "0",
            "max": "39",
            "mean": "19",
            "stdev": "12"
        },
        {
            "name": "SpMaxA_EA.bo.",
            "index": "45",
            "type": "numeric",
            "distinct": "45",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "CATS2D_08_AL",
            "index": "46",
            "type": "numeric",
            "distinct": "11",
            "missing": "0",
            "min": "1",
            "max": "16",
            "mean": "5",
            "stdev": "3"
        },
        {
            "name": "Eig09_AEA.ed.",
            "index": "47",
            "type": "numeric",
            "distinct": "65",
            "missing": "0",
            "min": "3",
            "max": "5",
            "mean": "4",
            "stdev": "1"
        },
        {
            "name": "Eig05_EA.ri.",
            "index": "48",
            "type": "numeric",
            "distinct": "68",
            "missing": "0",
            "min": "1",
            "max": "2",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "Eig09_AEA.ri.",
            "index": "49",
            "type": "numeric",
            "distinct": "73",
            "missing": "0",
            "min": "1",
            "max": "3",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "SpMax3_Bh.i.",
            "index": "50",
            "type": "numeric",
            "distinct": "56",
            "missing": "0",
            "min": "4",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "GATS7m",
            "index": "51",
            "type": "numeric",
            "distinct": "77",
            "missing": "0",
            "min": "1",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "H.052",
            "index": "52",
            "type": "numeric",
            "distinct": "7",
            "missing": "0",
            "min": "0",
            "max": "9",
            "mean": "1",
            "stdev": "3"
        },
        {
            "name": "nRCONHR",
            "index": "53",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "SsssN",
            "index": "54",
            "type": "numeric",
            "distinct": "24",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "0",
            "stdev": "1"
        },
        {
            "name": "SRW06",
            "index": "55",
            "type": "numeric",
            "distinct": "62",
            "missing": "0",
            "min": "6",
            "max": "7",
            "mean": "7",
            "stdev": "0"
        },
        {
            "name": "SRW08",
            "index": "56",
            "type": "numeric",
            "distinct": "61",
            "missing": "0",
            "min": "8",
            "max": "9",
            "mean": "9",
            "stdev": "0"
        },
        {
            "name": "GATS5m",
            "index": "57",
            "type": "numeric",
            "distinct": "77",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "MATS4p",
            "index": "58",
            "type": "numeric",
            "distinct": "66",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "Eig09_EA.ed.",
            "index": "59",
            "type": "numeric",
            "distinct": "64",
            "missing": "0",
            "min": "1",
            "max": "6",
            "mean": "3",
            "stdev": "1"
        },
        {
            "name": "SM04_AEA.ri.",
            "index": "60",
            "type": "numeric",
            "distinct": "64",
            "missing": "0",
            "min": "1",
            "max": "6",
            "mean": "3",
            "stdev": "1"
        },
        {
            "name": "Eig06_EA",
            "index": "61",
            "type": "numeric",
            "distinct": "65",
            "missing": "0",
            "min": "1",
            "max": "2",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "SM14_AEA.bo.",
            "index": "62",
            "type": "numeric",
            "distinct": "65",
            "missing": "0",
            "min": "1",
            "max": "2",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "Eig09_AEA.dm.",
            "index": "63",
            "type": "numeric",
            "distinct": "63",
            "missing": "0",
            "min": "1",
            "max": "2",
            "mean": "2",
            "stdev": "0"
        }
    ],
    "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
}