{
    "data_id": "35318",
    "name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL1741221",
    "exact_name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL1741221",
    "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: CHEMBL1741221 (TID: 104017), and it has 330 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 17:43:19",
    "update_comment": null,
    "last_update": "2016-07-15 17:43:19",
    "licence": "Public",
    "status": "deactivated",
    "error_message": null,
    "url": "https:\/\/www.openml.org\/data\/download\/3554555\/data_53444.arff",
    "default_target_attribute": "pXC50",
    "row_id_attribute": "molecule_id",
    "ignore_attribute": null,
    "runs": 2,
    "suggest": {
        "input": [
            "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL1741221",
            "This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL1741221 (TID: 104017), and it has 330 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": 330,
        "NumberOfFeatures": 71,
        "NumberOfClasses": 0,
        "NumberOfMissingValues": 0,
        "NumberOfInstancesWithMissingValues": 0,
        "NumberOfNumericFeatures": 70,
        "NumberOfSymbolicFeatures": 1,
        "Quartile2KurtosisOfNumericAtts": 0.6068388629541566,
        "Dimensionality": 0.21515151515151515,
        "MeanNominalAttDistinctValues": null,
        "Quartile2MeansOfNumericAtts": 4.384112121212121,
        "EquivalentNumberOfAtts": null,
        "MeanSkewnessOfNumericAtts": 0.1828483796605479,
        "Quartile2MutualInformation": null,
        "MajorityClassPercentage": null,
        "MeanStdDevOfNumericAtts": 400.78202273112703,
        "Quartile2SkewnessOfNumericAtts": -0.04376870978018674,
        "MajorityClassSize": null,
        "MinAttributeEntropy": null,
        "PercentageOfBinaryFeatures": 0,
        "Quartile2StdDevOfNumericAtts": 0.3764186456682213,
        "MaxAttributeEntropy": null,
        "MinKurtosisOfNumericAtts": -0.1681432965070364,
        "MinMeansOfNumericAtts": 0.022339393939393937,
        "PercentageOfInstancesWithMissingValues": 0,
        "Quartile3AttributeEntropy": null,
        "MaxKurtosisOfNumericAtts": 70.97199602114327,
        "MinMutualInformation": null,
        "PercentageOfMissingValues": 0,
        "Quartile3KurtosisOfNumericAtts": 3.3293208863500174,
        "MaxMeansOfNumericAtts": 17718.16890909091,
        "MinNominalAttDistinctValues": null,
        "PercentageOfNumericFeatures": 98.59154929577466,
        "Quartile3MeansOfNumericAtts": 5.595307575757576,
        "MaxMutualInformation": null,
        "MinSkewnessOfNumericAtts": -2.1261360962300904,
        "PercentageOfSymbolicFeatures": 1.4084507042253522,
        "Quartile3MutualInformation": null,
        "MaxNominalAttDistinctValues": null,
        "MinStdDevOfNumericAtts": 0.038127206214656206,
        "Quartile1AttributeEntropy": null,
        "Quartile3SkewnessOfNumericAtts": 0.3475948165218768,
        "MaxSkewnessOfNumericAtts": 6.176402816188295,
        "MinorityClassPercentage": null,
        "Quartile1KurtosisOfNumericAtts": 0.3084756185160412,
        "Quartile3StdDevOfNumericAtts": 0.5667976647738616,
        "MaxStdDevOfNumericAtts": 14435.244723277088,
        "MinorityClassSize": null,
        "Quartile1MeansOfNumericAtts": 3.7876424242424243,
        "StdvNominalAttDistinctValues": null,
        "MeanAttributeEntropy": null,
        "NumberOfBinaryFeatures": 0,
        "Quartile1MutualInformation": null,
        "MeanKurtosisOfNumericAtts": 4.466564854017244,
        "Quartile1SkewnessOfNumericAtts": -0.38850166428213284,
        "MeanMeansOfNumericAtts": 543.1411850216449,
        "Quartile1StdDevOfNumericAtts": 0.25811375743932846,
        "AutoCorrelation": 0.6615015197568389,
        "MeanMutualInformation": null,
        "Quartile2AttributeEntropy": null,
        "ClassEntropy": null,
        "MeanNoiseToSignalRatio": null
    },
    "tags": [
        {
            "tag": "MetaQSAR",
            "uploader": "62"
        },
        {
            "tag": "study_13",
            "uploader": "62"
        }
    ],
    "features": [
        {
            "name": "pXC50",
            "index": "70",
            "type": "numeric",
            "distinct": "224",
            "missing": "0",
            "target": "1",
            "min": "4",
            "max": "7",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "molecule_id",
            "index": "0",
            "type": "nominal",
            "distinct": "330",
            "missing": "0",
            "identifier": "1",
            "distr": []
        },
        {
            "name": "ATSC7i",
            "index": "1",
            "type": "numeric",
            "distinct": "289",
            "missing": "0",
            "min": "0",
            "max": "3",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "GMTI",
            "index": "2",
            "type": "numeric",
            "distinct": "320",
            "missing": "0",
            "min": "1282",
            "max": "81836",
            "mean": "9408",
            "stdev": "6583"
        },
        {
            "name": "IDET",
            "index": "3",
            "type": "numeric",
            "distinct": "324",
            "missing": "0",
            "min": "259",
            "max": "7352",
            "mean": "1277",
            "stdev": "671"
        },
        {
            "name": "IDMT",
            "index": "4",
            "type": "numeric",
            "distinct": "325",
            "missing": "0",
            "min": "2111",
            "max": "196533",
            "mean": "17718",
            "stdev": "14435"
        },
        {
            "name": "LPRS",
            "index": "5",
            "type": "numeric",
            "distinct": "325",
            "missing": "0",
            "min": "56",
            "max": "359",
            "mean": "132",
            "stdev": "37"
        },
        {
            "name": "SMTI",
            "index": "6",
            "type": "numeric",
            "distinct": "323",
            "missing": "0",
            "min": "1387",
            "max": "79836",
            "mean": "9065",
            "stdev": "6250"
        },
        {
            "name": "Xu",
            "index": "7",
            "type": "numeric",
            "distinct": "320",
            "missing": "0",
            "min": "14",
            "max": "49",
            "mean": "25",
            "stdev": "5"
        },
        {
            "name": "MATS1v",
            "index": "8",
            "type": "numeric",
            "distinct": "125",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "AAC",
            "index": "9",
            "type": "numeric",
            "distinct": "254",
            "missing": "0",
            "min": "1",
            "max": "2",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "AECC",
            "index": "10",
            "type": "numeric",
            "distinct": "292",
            "missing": "0",
            "min": "5",
            "max": "29",
            "mean": "11",
            "stdev": "3"
        },
        {
            "name": "ALOGP",
            "index": "11",
            "type": "numeric",
            "distinct": "314",
            "missing": "0",
            "min": "-1",
            "max": "8",
            "mean": "4",
            "stdev": "1"
        },
        {
            "name": "ALOGP2",
            "index": "12",
            "type": "numeric",
            "distinct": "326",
            "missing": "0",
            "min": "0",
            "max": "58",
            "mean": "21",
            "stdev": "10"
        },
        {
            "name": "AMR",
            "index": "13",
            "type": "numeric",
            "distinct": "328",
            "missing": "0",
            "min": "51",
            "max": "197",
            "mean": "105",
            "stdev": "20"
        },
        {
            "name": "AMW",
            "index": "14",
            "type": "numeric",
            "distinct": "314",
            "missing": "0",
            "min": "5",
            "max": "18",
            "mean": "9",
            "stdev": "2"
        },
        {
            "name": "ARR",
            "index": "15",
            "type": "numeric",
            "distinct": "119",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "ATS1e",
            "index": "16",
            "type": "numeric",
            "distinct": "272",
            "missing": "0",
            "min": "3",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS1i",
            "index": "17",
            "type": "numeric",
            "distinct": "270",
            "missing": "0",
            "min": "3",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS1m",
            "index": "18",
            "type": "numeric",
            "distinct": "272",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS1p",
            "index": "19",
            "type": "numeric",
            "distinct": "272",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "ATS1s",
            "index": "20",
            "type": "numeric",
            "distinct": "275",
            "missing": "0",
            "min": "5",
            "max": "6",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "ATS1v",
            "index": "21",
            "type": "numeric",
            "distinct": "271",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "ATS2e",
            "index": "22",
            "type": "numeric",
            "distinct": "276",
            "missing": "0",
            "min": "4",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS2i",
            "index": "23",
            "type": "numeric",
            "distinct": "284",
            "missing": "0",
            "min": "4",
            "max": "6",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "ATS2m",
            "index": "24",
            "type": "numeric",
            "distinct": "270",
            "missing": "0",
            "min": "3",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS2p",
            "index": "25",
            "type": "numeric",
            "distinct": "282",
            "missing": "0",
            "min": "3",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS2s",
            "index": "26",
            "type": "numeric",
            "distinct": "272",
            "missing": "0",
            "min": "5",
            "max": "7",
            "mean": "6",
            "stdev": "0"
        },
        {
            "name": "ATS2v",
            "index": "27",
            "type": "numeric",
            "distinct": "271",
            "missing": "0",
            "min": "3",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS3e",
            "index": "28",
            "type": "numeric",
            "distinct": "276",
            "missing": "0",
            "min": "4",
            "max": "6",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "ATS3i",
            "index": "29",
            "type": "numeric",
            "distinct": "275",
            "missing": "0",
            "min": "4",
            "max": "6",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "ATS3m",
            "index": "30",
            "type": "numeric",
            "distinct": "272",
            "missing": "0",
            "min": "3",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS3p",
            "index": "31",
            "type": "numeric",
            "distinct": "276",
            "missing": "0",
            "min": "3",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS3s",
            "index": "32",
            "type": "numeric",
            "distinct": "273",
            "missing": "0",
            "min": "5",
            "max": "7",
            "mean": "6",
            "stdev": "0"
        },
        {
            "name": "ATS3v",
            "index": "33",
            "type": "numeric",
            "distinct": "275",
            "missing": "0",
            "min": "3",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS4e",
            "index": "34",
            "type": "numeric",
            "distinct": "293",
            "missing": "0",
            "min": "4",
            "max": "6",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "ATS4i",
            "index": "35",
            "type": "numeric",
            "distinct": "279",
            "missing": "0",
            "min": "4",
            "max": "6",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "ATS4m",
            "index": "36",
            "type": "numeric",
            "distinct": "287",
            "missing": "0",
            "min": "3",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS4p",
            "index": "37",
            "type": "numeric",
            "distinct": "281",
            "missing": "0",
            "min": "3",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS4s",
            "index": "38",
            "type": "numeric",
            "distinct": "285",
            "missing": "0",
            "min": "5",
            "max": "7",
            "mean": "6",
            "stdev": "0"
        },
        {
            "name": "ATS4v",
            "index": "39",
            "type": "numeric",
            "distinct": "281",
            "missing": "0",
            "min": "3",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS5e",
            "index": "40",
            "type": "numeric",
            "distinct": "292",
            "missing": "0",
            "min": "4",
            "max": "6",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "ATS5i",
            "index": "41",
            "type": "numeric",
            "distinct": "294",
            "missing": "0",
            "min": "4",
            "max": "6",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "ATS5m",
            "index": "42",
            "type": "numeric",
            "distinct": "292",
            "missing": "0",
            "min": "3",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS5p",
            "index": "43",
            "type": "numeric",
            "distinct": "295",
            "missing": "0",
            "min": "3",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS5s",
            "index": "44",
            "type": "numeric",
            "distinct": "287",
            "missing": "0",
            "min": "5",
            "max": "7",
            "mean": "6",
            "stdev": "0"
        },
        {
            "name": "ATS5v",
            "index": "45",
            "type": "numeric",
            "distinct": "295",
            "missing": "0",
            "min": "3",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS6e",
            "index": "46",
            "type": "numeric",
            "distinct": "293",
            "missing": "0",
            "min": "3",
            "max": "6",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "ATS6i",
            "index": "47",
            "type": "numeric",
            "distinct": "293",
            "missing": "0",
            "min": "3",
            "max": "6",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "ATS6m",
            "index": "48",
            "type": "numeric",
            "distinct": "296",
            "missing": "0",
            "min": "2",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS6p",
            "index": "49",
            "type": "numeric",
            "distinct": "289",
            "missing": "0",
            "min": "2",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS6s",
            "index": "50",
            "type": "numeric",
            "distinct": "294",
            "missing": "0",
            "min": "4",
            "max": "7",
            "mean": "6",
            "stdev": "0"
        },
        {
            "name": "ATS6v",
            "index": "51",
            "type": "numeric",
            "distinct": "294",
            "missing": "0",
            "min": "2",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS7e",
            "index": "52",
            "type": "numeric",
            "distinct": "299",
            "missing": "0",
            "min": "3",
            "max": "6",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS7i",
            "index": "53",
            "type": "numeric",
            "distinct": "302",
            "missing": "0",
            "min": "3",
            "max": "6",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "ATS7m",
            "index": "54",
            "type": "numeric",
            "distinct": "294",
            "missing": "0",
            "min": "1",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS7p",
            "index": "55",
            "type": "numeric",
            "distinct": "285",
            "missing": "0",
            "min": "2",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS7s",
            "index": "56",
            "type": "numeric",
            "distinct": "288",
            "missing": "0",
            "min": "3",
            "max": "7",
            "mean": "6",
            "stdev": "0"
        },
        {
            "name": "ATS7v",
            "index": "57",
            "type": "numeric",
            "distinct": "294",
            "missing": "0",
            "min": "1",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS8e",
            "index": "58",
            "type": "numeric",
            "distinct": "303",
            "missing": "0",
            "min": "2",
            "max": "6",
            "mean": "4",
            "stdev": "1"
        },
        {
            "name": "ATS8i",
            "index": "59",
            "type": "numeric",
            "distinct": "300",
            "missing": "0",
            "min": "2",
            "max": "6",
            "mean": "5",
            "stdev": "1"
        },
        {
            "name": "ATS8m",
            "index": "60",
            "type": "numeric",
            "distinct": "299",
            "missing": "0",
            "min": "0",
            "max": "5",
            "mean": "4",
            "stdev": "1"
        },
        {
            "name": "ATS8p",
            "index": "61",
            "type": "numeric",
            "distinct": "286",
            "missing": "0",
            "min": "1",
            "max": "5",
            "mean": "4",
            "stdev": "1"
        },
        {
            "name": "ATS8s",
            "index": "62",
            "type": "numeric",
            "distinct": "300",
            "missing": "0",
            "min": "2",
            "max": "7",
            "mean": "5",
            "stdev": "1"
        },
        {
            "name": "ATS8v",
            "index": "63",
            "type": "numeric",
            "distinct": "293",
            "missing": "0",
            "min": "1",
            "max": "4",
            "mean": "3",
            "stdev": "1"
        },
        {
            "name": "ATSC1e",
            "index": "64",
            "type": "numeric",
            "distinct": "166",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "ATSC1i",
            "index": "65",
            "type": "numeric",
            "distinct": "259",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "ATSC1m",
            "index": "66",
            "type": "numeric",
            "distinct": "321",
            "missing": "0",
            "min": "0",
            "max": "31",
            "mean": "8",
            "stdev": "4"
        },
        {
            "name": "ATSC1p",
            "index": "67",
            "type": "numeric",
            "distinct": "317",
            "missing": "0",
            "min": "1",
            "max": "11",
            "mean": "4",
            "stdev": "1"
        },
        {
            "name": "ATSC1s",
            "index": "68",
            "type": "numeric",
            "distinct": "324",
            "missing": "0",
            "min": "3",
            "max": "118",
            "mean": "13",
            "stdev": "11"
        },
        {
            "name": "ATSC1v",
            "index": "69",
            "type": "numeric",
            "distinct": "320",
            "missing": "0",
            "min": "1",
            "max": "15",
            "mean": "5",
            "stdev": "2"
        }
    ],
    "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
}