{
    "data_id": "35085",
    "name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL2335",
    "exact_name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL2335",
    "version": 8,
    "version_label": null,
    "description": "This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL2335 (TID: 10331), and it has 303 rows and 51 features (not including molecule IDs and class feature: molecule_id and pXC50). The features represent FCFP 1024-bit Molecular Fingerprints which were generated from SMILES strings. Feature selection was applied to this dataset. The fingerprints were obtained using the Pipeline Pilot program, Dassault Syst\u00e8mes BIOVIA. Generating Fingerprints do not usually require missing value imputation as all bits are generated.",
    "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 17:05:11",
    "update_comment": null,
    "last_update": "2016-07-15 17:05:11",
    "licence": "Public",
    "status": "deactivated",
    "error_message": null,
    "url": "https:\/\/www.openml.org\/data\/download\/3547283\/data_47047.arff",
    "default_target_attribute": "pXC50",
    "row_id_attribute": "molecule_id",
    "ignore_attribute": null,
    "runs": 1,
    "suggest": {
        "input": [
            "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL2335",
            "This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL2335 (TID: 10331), and it has 303 rows and 51 features (not including molecule IDs and class feature: molecule_id and pXC50). The features represent FCFP 1024-bit Molecular Fingerprints which were generated from SMILES strings. Feature selection was applied to this dataset. The fingerprints were obtained using the Pipeline Pilot program, Das "
        ],
        "weight": 5
    },
    "qualities": {
        "NumberOfInstances": 303,
        "NumberOfFeatures": 53,
        "NumberOfClasses": 0,
        "NumberOfMissingValues": 0,
        "NumberOfInstancesWithMissingValues": 0,
        "NumberOfNumericFeatures": 52,
        "NumberOfSymbolicFeatures": 1,
        "Quartile3AttributeEntropy": null,
        "MaxKurtosisOfNumericAtts": 302.9999999999994,
        "MinMeansOfNumericAtts": 0,
        "PercentageOfInstancesWithMissingValues": 0,
        "Quartile3KurtosisOfNumericAtts": 6.99794593130389,
        "MaxMeansOfNumericAtts": 7.1891287128712875,
        "MinMutualInformation": null,
        "PercentageOfMissingValues": 0,
        "Quartile3MeansOfNumericAtts": 0.3655115511551165,
        "MaxMutualInformation": null,
        "MinNominalAttDistinctValues": null,
        "PercentageOfNumericFeatures": 98.11320754716981,
        "Quartile3MutualInformation": null,
        "MaxNominalAttDistinctValues": null,
        "MinSkewnessOfNumericAtts": -2.6985011833833736,
        "PercentageOfSymbolicFeatures": 1.8867924528301887,
        "Quartile3SkewnessOfNumericAtts": 2.991767183185114,
        "MaxSkewnessOfNumericAtts": 17.406895185529088,
        "MinStdDevOfNumericAtts": 0,
        "Quartile1AttributeEntropy": null,
        "Quartile3StdDevOfNumericAtts": 0.41058929050251053,
        "MaxStdDevOfNumericAtts": 1.373921045646193,
        "MinorityClassPercentage": null,
        "Quartile1KurtosisOfNumericAtts": -0.06296407476406618,
        "StdvNominalAttDistinctValues": null,
        "MeanAttributeEntropy": null,
        "MinorityClassSize": null,
        "Quartile1MeansOfNumericAtts": 0.08333333333333348,
        "MeanKurtosisOfNumericAtts": 11.961777693688472,
        "NumberOfBinaryFeatures": 0,
        "Quartile1MutualInformation": null,
        "MeanMeansOfNumericAtts": 0.3857137598375222,
        "Quartile1SkewnessOfNumericAtts": 0.6937378676464038,
        "AutoCorrelation": 0.06860596026490064,
        "MeanMutualInformation": null,
        "Quartile1StdDevOfNumericAtts": 0.27559264093884134,
        "ClassEntropy": null,
        "MeanNoiseToSignalRatio": null,
        "Quartile2AttributeEntropy": null,
        "Dimensionality": 0.17491749174917492,
        "MeanNominalAttDistinctValues": null,
        "Quartile2KurtosisOfNumericAtts": 2.7290514455084782,
        "EquivalentNumberOfAtts": null,
        "MeanSkewnessOfNumericAtts": 2.178180687997648,
        "Quartile2MeansOfNumericAtts": 0.14521452145214475,
        "MajorityClassPercentage": null,
        "MeanStdDevOfNumericAtts": 0.34948596926731706,
        "Quartile2MutualInformation": null,
        "MajorityClassSize": null,
        "MinAttributeEntropy": null,
        "Quartile2SkewnessOfNumericAtts": 2.024583480876221,
        "Quartile2StdDevOfNumericAtts": 0.32984548237365763,
        "MaxAttributeEntropy": null,
        "MinKurtosisOfNumericAtts": -2.012934627494409,
        "PercentageOfBinaryFeatures": 0
    },
    "tags": [
        {
            "tag": "MetaQSAR",
            "uploader": "62"
        },
        {
            "tag": "study_13",
            "uploader": "62"
        }
    ],
    "features": [
        {
            "name": "pXC50",
            "index": "52",
            "type": "numeric",
            "distinct": "217",
            "missing": "0",
            "target": "1",
            "min": "4",
            "max": "10",
            "mean": "7",
            "stdev": "1"
        },
        {
            "name": "molecule_id",
            "index": "0",
            "type": "nominal",
            "distinct": "303",
            "missing": "0",
            "identifier": "1",
            "distr": []
        },
        {
            "name": "FCFP4_1024b925",
            "index": "1",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b2",
            "index": "2",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b33",
            "index": "3",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b957",
            "index": "4",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "FCFP4_1024b319",
            "index": "5",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b57",
            "index": "6",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b78",
            "index": "7",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b649",
            "index": "8",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "1"
        },
        {
            "name": "FCFP4_1024b585",
            "index": "9",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b298",
            "index": "10",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b708",
            "index": "11",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b809",
            "index": "12",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b904",
            "index": "13",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b88",
            "index": "14",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b461",
            "index": "15",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b999",
            "index": "16",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b139",
            "index": "17",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "1"
        },
        {
            "name": "FCFP4_1024b87",
            "index": "18",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b67",
            "index": "19",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b888",
            "index": "20",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b269",
            "index": "21",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b992",
            "index": "22",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b826",
            "index": "23",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b877",
            "index": "24",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b615",
            "index": "25",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b131",
            "index": "26",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b468",
            "index": "27",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b872",
            "index": "28",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b914",
            "index": "29",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b396",
            "index": "30",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b524",
            "index": "31",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b653",
            "index": "32",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b438",
            "index": "33",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b597",
            "index": "34",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b42",
            "index": "35",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b222",
            "index": "36",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b215",
            "index": "37",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b153",
            "index": "38",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b38",
            "index": "39",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b536",
            "index": "40",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b876",
            "index": "41",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b206",
            "index": "42",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b583",
            "index": "43",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b187",
            "index": "44",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b1006",
            "index": "45",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b1",
            "index": "46",
            "type": "numeric",
            "distinct": "1",
            "missing": "0",
            "min": "1",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b10",
            "index": "47",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "FCFP4_1024b100",
            "index": "48",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b1000",
            "index": "49",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b1001",
            "index": "50",
            "type": "numeric",
            "distinct": "1",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "FCFP4_1024b1002",
            "index": "51",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "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
}