{
    "data_id": "27896",
    "name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL3446",
    "exact_name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL3446",
    "version": 9,
    "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: CHEMBL3446 (TID: 17005), and it has 128 rows and 61 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": "2016-07-14 22:39:25",
    "update_comment": null,
    "last_update": "2016-07-14 22:39:25",
    "licence": "Public",
    "status": "deactivated",
    "error_message": null,
    "url": "https:\/\/www.openml.org\/data\/download\/3343438\/data_52286.arff",
    "default_target_attribute": "pXC50",
    "row_id_attribute": "molecule_id",
    "ignore_attribute": null,
    "runs": 2,
    "suggest": {
        "input": [
            "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL3446",
            "This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL3446 (TID: 17005), and it has 128 rows and 61 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": 128,
        "NumberOfFeatures": 63,
        "NumberOfClasses": 0,
        "NumberOfMissingValues": 0,
        "NumberOfInstancesWithMissingValues": 0,
        "NumberOfNumericFeatures": 62,
        "NumberOfSymbolicFeatures": 1,
        "MeanAttributeEntropy": null,
        "MinorityClassSize": null,
        "Quartile1MeansOfNumericAtts": 0.82421875,
        "StdvNominalAttDistinctValues": null,
        "MeanKurtosisOfNumericAtts": -0.7481202948278249,
        "NumberOfBinaryFeatures": 0,
        "Quartile1MutualInformation": null,
        "MeanMeansOfNumericAtts": 5.798259324596774,
        "Quartile1SkewnessOfNumericAtts": -0.43497416355511137,
        "MeanMutualInformation": null,
        "Quartile1StdDevOfNumericAtts": 0.1366663035127147,
        "AutoCorrelation": -0.039850393700787454,
        "MeanNoiseToSignalRatio": null,
        "Quartile2AttributeEntropy": null,
        "ClassEntropy": null,
        "MeanNominalAttDistinctValues": null,
        "Quartile2KurtosisOfNumericAtts": -0.914785821052438,
        "Dimensionality": 0.4921875,
        "MeanSkewnessOfNumericAtts": -0.13523813179748845,
        "Quartile2MeansOfNumericAtts": 4.550921875,
        "EquivalentNumberOfAtts": null,
        "MeanStdDevOfNumericAtts": 0.9059345134602982,
        "Quartile2MutualInformation": null,
        "MajorityClassPercentage": null,
        "MinAttributeEntropy": null,
        "Quartile2SkewnessOfNumericAtts": -0.1983887606563256,
        "MajorityClassSize": null,
        "MinKurtosisOfNumericAtts": -2.0320000000000005,
        "PercentageOfBinaryFeatures": 0,
        "Quartile2StdDevOfNumericAtts": 0.43418920069190936,
        "MaxAttributeEntropy": null,
        "MaxKurtosisOfNumericAtts": 2.973358659046662,
        "MinMeansOfNumericAtts": -0.14828125,
        "PercentageOfInstancesWithMissingValues": 0,
        "Quartile3AttributeEntropy": null,
        "MaxMeansOfNumericAtts": 22.587828125,
        "MinMutualInformation": null,
        "PercentageOfMissingValues": 0,
        "Quartile3KurtosisOfNumericAtts": -0.32136297038779815,
        "MaxMutualInformation": null,
        "MinNominalAttDistinctValues": null,
        "PercentageOfNumericFeatures": 98.4126984126984,
        "Quartile3MeansOfNumericAtts": 7.2267109375,
        "MaxNominalAttDistinctValues": null,
        "MinSkewnessOfNumericAtts": -0.747512402069958,
        "PercentageOfSymbolicFeatures": 1.5873015873015872,
        "Quartile3MutualInformation": null,
        "MaxSkewnessOfNumericAtts": 0.9176021037211309,
        "MinStdDevOfNumericAtts": 0.0063951068585508,
        "Quartile1AttributeEntropy": null,
        "Quartile3SkewnessOfNumericAtts": 0.043547854132613736,
        "MaxStdDevOfNumericAtts": 14.373094963908617,
        "MinorityClassPercentage": null,
        "Quartile1KurtosisOfNumericAtts": -1.3743192935647177,
        "Quartile3StdDevOfNumericAtts": 0.9247589344567317
    },
    "tags": [
        {
            "tag": "MetaQSAR",
            "uploader": "62"
        },
        {
            "tag": "study_13",
            "uploader": "62"
        }
    ],
    "features": [
        {
            "name": "pXC50",
            "index": "62",
            "type": "numeric",
            "distinct": "78",
            "missing": "0",
            "target": "1",
            "min": "4",
            "max": "9",
            "mean": "5",
            "stdev": "1"
        },
        {
            "name": "molecule_id",
            "index": "0",
            "type": "nominal",
            "distinct": "128",
            "missing": "0",
            "identifier": "1",
            "distr": []
        },
        {
            "name": "NNRS",
            "index": "1",
            "type": "numeric",
            "distinct": "10",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "RCI",
            "index": "2",
            "type": "numeric",
            "distinct": "24",
            "missing": "0",
            "min": "1",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "RFD",
            "index": "3",
            "type": "numeric",
            "distinct": "24",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "piPC06",
            "index": "4",
            "type": "numeric",
            "distinct": "102",
            "missing": "0",
            "min": "5",
            "max": "7",
            "mean": "6",
            "stdev": "1"
        },
        {
            "name": "piPC07",
            "index": "5",
            "type": "numeric",
            "distinct": "108",
            "missing": "0",
            "min": "5",
            "max": "8",
            "mean": "7",
            "stdev": "1"
        },
        {
            "name": "piPC08",
            "index": "6",
            "type": "numeric",
            "distinct": "108",
            "missing": "0",
            "min": "5",
            "max": "8",
            "mean": "7",
            "stdev": "1"
        },
        {
            "name": "piPC09",
            "index": "7",
            "type": "numeric",
            "distinct": "112",
            "missing": "0",
            "min": "5",
            "max": "9",
            "mean": "7",
            "stdev": "1"
        },
        {
            "name": "piPC10",
            "index": "8",
            "type": "numeric",
            "distinct": "112",
            "missing": "0",
            "min": "5",
            "max": "9",
            "mean": "7",
            "stdev": "1"
        },
        {
            "name": "piPC05",
            "index": "9",
            "type": "numeric",
            "distinct": "100",
            "missing": "0",
            "min": "5",
            "max": "7",
            "mean": "6",
            "stdev": "0"
        },
        {
            "name": "PCR",
            "index": "10",
            "type": "numeric",
            "distinct": "90",
            "missing": "0",
            "min": "1",
            "max": "2",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "piPC04",
            "index": "11",
            "type": "numeric",
            "distinct": "100",
            "missing": "0",
            "min": "4",
            "max": "6",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "NaaaC",
            "index": "12",
            "type": "numeric",
            "distinct": "4",
            "missing": "0",
            "min": "0",
            "max": "5",
            "mean": "2",
            "stdev": "2"
        },
        {
            "name": "nPyrazines",
            "index": "13",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "1"
        },
        {
            "name": "SpMax1_Bh.e.",
            "index": "14",
            "type": "numeric",
            "distinct": "67",
            "missing": "0",
            "min": "4",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "SpMax1_Bh.i.",
            "index": "15",
            "type": "numeric",
            "distinct": "67",
            "missing": "0",
            "min": "4",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "SpMax1_Bh.v.",
            "index": "16",
            "type": "numeric",
            "distinct": "64",
            "missing": "0",
            "min": "4",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "nPyrroles",
            "index": "17",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "SaaaC",
            "index": "18",
            "type": "numeric",
            "distinct": "74",
            "missing": "0",
            "min": "0",
            "max": "5",
            "mean": "2",
            "stdev": "2"
        },
        {
            "name": "Eig01_EA.bo.",
            "index": "19",
            "type": "numeric",
            "distinct": "38",
            "missing": "0",
            "min": "4",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "SM08_EA.bo.",
            "index": "20",
            "type": "numeric",
            "distinct": "101",
            "missing": "0",
            "min": "11",
            "max": "13",
            "mean": "12",
            "stdev": "1"
        },
        {
            "name": "SM09_EA.bo.",
            "index": "21",
            "type": "numeric",
            "distinct": "93",
            "missing": "0",
            "min": "12",
            "max": "15",
            "mean": "14",
            "stdev": "1"
        },
        {
            "name": "SM10_EA.bo.",
            "index": "22",
            "type": "numeric",
            "distinct": "94",
            "missing": "0",
            "min": "14",
            "max": "16",
            "mean": "15",
            "stdev": "1"
        },
        {
            "name": "SM11_AEA.ri.",
            "index": "23",
            "type": "numeric",
            "distinct": "38",
            "missing": "0",
            "min": "4",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "SM11_EA.bo.",
            "index": "24",
            "type": "numeric",
            "distinct": "92",
            "missing": "0",
            "min": "15",
            "max": "18",
            "mean": "17",
            "stdev": "1"
        },
        {
            "name": "SM12_EA.bo.",
            "index": "25",
            "type": "numeric",
            "distinct": "89",
            "missing": "0",
            "min": "16",
            "max": "19",
            "mean": "18",
            "stdev": "1"
        },
        {
            "name": "SM13_EA.bo.",
            "index": "26",
            "type": "numeric",
            "distinct": "92",
            "missing": "0",
            "min": "17",
            "max": "21",
            "mean": "20",
            "stdev": "1"
        },
        {
            "name": "SM14_EA.bo.",
            "index": "27",
            "type": "numeric",
            "distinct": "87",
            "missing": "0",
            "min": "19",
            "max": "23",
            "mean": "21",
            "stdev": "1"
        },
        {
            "name": "SM15_EA.bo.",
            "index": "28",
            "type": "numeric",
            "distinct": "82",
            "missing": "0",
            "min": "20",
            "max": "24",
            "mean": "23",
            "stdev": "1"
        },
        {
            "name": "SpDiam_EA.bo.",
            "index": "29",
            "type": "numeric",
            "distinct": "38",
            "missing": "0",
            "min": "7",
            "max": "8",
            "mean": "7",
            "stdev": "0"
        },
        {
            "name": "SpMax_EA.bo.",
            "index": "30",
            "type": "numeric",
            "distinct": "38",
            "missing": "0",
            "min": "4",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "MATS4v",
            "index": "31",
            "type": "numeric",
            "distinct": "98",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "SpMAD_EA.bo.",
            "index": "32",
            "type": "numeric",
            "distinct": "91",
            "missing": "0",
            "min": "2",
            "max": "2",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "SpMin1_Bh.p.",
            "index": "33",
            "type": "numeric",
            "distinct": "52",
            "missing": "0",
            "min": "2",
            "max": "2",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "PCD",
            "index": "34",
            "type": "numeric",
            "distinct": "111",
            "missing": "0",
            "min": "1",
            "max": "5",
            "mean": "3",
            "stdev": "1"
        },
        {
            "name": "C.033",
            "index": "35",
            "type": "numeric",
            "distinct": "3",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "H.048",
            "index": "36",
            "type": "numeric",
            "distinct": "5",
            "missing": "0",
            "min": "0",
            "max": "4",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "MATS4p",
            "index": "37",
            "type": "numeric",
            "distinct": "106",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "nAB",
            "index": "38",
            "type": "numeric",
            "distinct": "12",
            "missing": "0",
            "min": "6",
            "max": "27",
            "mean": "15",
            "stdev": "6"
        },
        {
            "name": "SaaN",
            "index": "39",
            "type": "numeric",
            "distinct": "73",
            "missing": "0",
            "min": "0",
            "max": "10",
            "mean": "4",
            "stdev": "3"
        },
        {
            "name": "SM07_EA.bo.",
            "index": "40",
            "type": "numeric",
            "distinct": "92",
            "missing": "0",
            "min": "9",
            "max": "12",
            "mean": "11",
            "stdev": "1"
        },
        {
            "name": "MPC07",
            "index": "41",
            "type": "numeric",
            "distinct": "77",
            "missing": "0",
            "min": "4",
            "max": "5",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "MPC08",
            "index": "42",
            "type": "numeric",
            "distinct": "84",
            "missing": "0",
            "min": "4",
            "max": "6",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "Eig01_AEA.bo.",
            "index": "43",
            "type": "numeric",
            "distinct": "42",
            "missing": "0",
            "min": "4",
            "max": "5",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "SpDiam_AEA.bo.",
            "index": "44",
            "type": "numeric",
            "distinct": "51",
            "missing": "0",
            "min": "5",
            "max": "6",
            "mean": "6",
            "stdev": "0"
        },
        {
            "name": "SpMax_AEA.bo.",
            "index": "45",
            "type": "numeric",
            "distinct": "42",
            "missing": "0",
            "min": "4",
            "max": "5",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "GATS6v",
            "index": "46",
            "type": "numeric",
            "distinct": "110",
            "missing": "0",
            "min": "1",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "SM06_EA.bo.",
            "index": "47",
            "type": "numeric",
            "distinct": "107",
            "missing": "0",
            "min": "8",
            "max": "10",
            "mean": "10",
            "stdev": "0"
        },
        {
            "name": "N.073",
            "index": "48",
            "type": "numeric",
            "distinct": "3",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "MATS6v",
            "index": "49",
            "type": "numeric",
            "distinct": "111",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "piPC03",
            "index": "50",
            "type": "numeric",
            "distinct": "98",
            "missing": "0",
            "min": "4",
            "max": "5",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "MPC09",
            "index": "51",
            "type": "numeric",
            "distinct": "85",
            "missing": "0",
            "min": "4",
            "max": "6",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "MPC10",
            "index": "52",
            "type": "numeric",
            "distinct": "87",
            "missing": "0",
            "min": "3",
            "max": "6",
            "mean": "5",
            "stdev": "1"
        },
        {
            "name": "Eta_betaP",
            "index": "53",
            "type": "numeric",
            "distinct": "29",
            "missing": "0",
            "min": "7",
            "max": "25",
            "mean": "15",
            "stdev": "4"
        },
        {
            "name": "PW5",
            "index": "54",
            "type": "numeric",
            "distinct": "32",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "X4A",
            "index": "55",
            "type": "numeric",
            "distinct": "25",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "SM05_EA.bo.",
            "index": "56",
            "type": "numeric",
            "distinct": "92",
            "missing": "0",
            "min": "7",
            "max": "8",
            "mean": "8",
            "stdev": "0"
        },
        {
            "name": "ARR",
            "index": "57",
            "type": "numeric",
            "distinct": "59",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "C.029",
            "index": "58",
            "type": "numeric",
            "distinct": "3",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "P_VSA_LogP_6",
            "index": "59",
            "type": "numeric",
            "distinct": "33",
            "missing": "0",
            "min": "0",
            "max": "54",
            "mean": "15",
            "stdev": "14"
        },
        {
            "name": "X2A",
            "index": "60",
            "type": "numeric",
            "distinct": "34",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "MATS5s",
            "index": "61",
            "type": "numeric",
            "distinct": "102",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "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
}