{
    "data_id": "35691",
    "name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL4588",
    "exact_name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL4588",
    "version": 12,
    "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: CHEMBL4588 (TID: 11110), and it has 969 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 18:44:08",
    "update_comment": null,
    "last_update": "2016-07-15 18:44:08",
    "licence": "Public",
    "status": "deactivated",
    "error_message": null,
    "url": "https:\/\/www.openml.org\/data\/download\/3565738\/data_53575.arff",
    "default_target_attribute": "pXC50",
    "row_id_attribute": "molecule_id",
    "ignore_attribute": null,
    "runs": 2,
    "suggest": {
        "input": [
            "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL4588",
            "This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL4588 (TID: 11110), and it has 969 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": 969,
        "NumberOfFeatures": 71,
        "NumberOfClasses": 0,
        "NumberOfMissingValues": 0,
        "NumberOfInstancesWithMissingValues": 0,
        "NumberOfNumericFeatures": 70,
        "NumberOfSymbolicFeatures": 1,
        "ClassEntropy": null,
        "MeanNoiseToSignalRatio": null,
        "Quartile2AttributeEntropy": null,
        "Dimensionality": 0.07327141382868937,
        "MeanNominalAttDistinctValues": null,
        "Quartile2KurtosisOfNumericAtts": 4.965832413594843,
        "EquivalentNumberOfAtts": null,
        "MeanSkewnessOfNumericAtts": -0.20728899996427186,
        "Quartile2MeansOfNumericAtts": 6.050703302373581,
        "MajorityClassPercentage": null,
        "MeanStdDevOfNumericAtts": 530.559855000825,
        "Quartile2MutualInformation": null,
        "MajorityClassSize": null,
        "MinAttributeEntropy": null,
        "Quartile2SkewnessOfNumericAtts": -0.06418479334275518,
        "MaxAttributeEntropy": null,
        "MinKurtosisOfNumericAtts": -0.6799337835688926,
        "PercentageOfBinaryFeatures": 0,
        "Quartile2StdDevOfNumericAtts": 0.8833405419306593,
        "MaxKurtosisOfNumericAtts": 36.355051222199315,
        "MinMeansOfNumericAtts": 1.2028152734778121,
        "PercentageOfInstancesWithMissingValues": 0,
        "Quartile3AttributeEntropy": null,
        "MaxMeansOfNumericAtts": 28483.971104231143,
        "MinMutualInformation": null,
        "PercentageOfMissingValues": 0,
        "Quartile3KurtosisOfNumericAtts": 10.493302540304597,
        "MaxMutualInformation": null,
        "MinNominalAttDistinctValues": null,
        "PercentageOfNumericFeatures": 98.59154929577466,
        "Quartile3MeansOfNumericAtts": 35.398351393188854,
        "MaxNominalAttDistinctValues": null,
        "MinSkewnessOfNumericAtts": -3.628759554906763,
        "PercentageOfSymbolicFeatures": 1.4084507042253522,
        "Quartile3MutualInformation": null,
        "MaxSkewnessOfNumericAtts": 5.247624775034376,
        "MinStdDevOfNumericAtts": 0.18224241775094108,
        "Quartile1AttributeEntropy": null,
        "Quartile3SkewnessOfNumericAtts": 1.3243816345613841,
        "MaxStdDevOfNumericAtts": 35591.341972944945,
        "MinorityClassPercentage": null,
        "Quartile1KurtosisOfNumericAtts": 2.798573098311616,
        "Quartile3StdDevOfNumericAtts": 15.74267337722964,
        "MeanAttributeEntropy": null,
        "MinorityClassSize": null,
        "Quartile1MeansOfNumericAtts": 3.412986068111455,
        "StdvNominalAttDistinctValues": null,
        "MeanKurtosisOfNumericAtts": 7.43464202948741,
        "NumberOfBinaryFeatures": 0,
        "Quartile1MutualInformation": null,
        "MeanMeansOfNumericAtts": 464.08021015774705,
        "Quartile1SkewnessOfNumericAtts": -2.0542429071236277,
        "AutoCorrelation": -0.3285444214876021,
        "MeanMutualInformation": null,
        "Quartile1StdDevOfNumericAtts": 0.3462103122622779
    },
    "tags": [
        {
            "tag": "MetaQSAR",
            "uploader": "62"
        },
        {
            "tag": "study_13",
            "uploader": "62"
        }
    ],
    "features": [
        {
            "name": "pXC50",
            "index": "70",
            "type": "numeric",
            "distinct": "369",
            "missing": "0",
            "target": "1",
            "min": "4",
            "max": "11",
            "mean": "7",
            "stdev": "1"
        },
        {
            "name": "molecule_id",
            "index": "0",
            "type": "nominal",
            "distinct": "969",
            "missing": "0",
            "identifier": "1",
            "distr": []
        },
        {
            "name": "ATSC5s",
            "index": "1",
            "type": "numeric",
            "distinct": "861",
            "missing": "0",
            "min": "4",
            "max": "1315",
            "mean": "206",
            "stdev": "111"
        },
        {
            "name": "ATS1m",
            "index": "2",
            "type": "numeric",
            "distinct": "548",
            "missing": "0",
            "min": "3",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "SpMax3_Bh.e.",
            "index": "3",
            "type": "numeric",
            "distinct": "356",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS4m",
            "index": "4",
            "type": "numeric",
            "distinct": "616",
            "missing": "0",
            "min": "1",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS2s",
            "index": "5",
            "type": "numeric",
            "distinct": "569",
            "missing": "0",
            "min": "5",
            "max": "7",
            "mean": "6",
            "stdev": "0"
        },
        {
            "name": "SAtot",
            "index": "6",
            "type": "numeric",
            "distinct": "788",
            "missing": "0",
            "min": "148",
            "max": "1811",
            "mean": "574",
            "stdev": "172"
        },
        {
            "name": "X1v",
            "index": "7",
            "type": "numeric",
            "distinct": "785",
            "missing": "0",
            "min": "3",
            "max": "30",
            "mean": "11",
            "stdev": "3"
        },
        {
            "name": "DELS",
            "index": "8",
            "type": "numeric",
            "distinct": "855",
            "missing": "0",
            "min": "13",
            "max": "237",
            "mean": "56",
            "stdev": "22"
        },
        {
            "name": "SpMax4_Bh.v.",
            "index": "9",
            "type": "numeric",
            "distinct": "445",
            "missing": "0",
            "min": "1",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "SpMax7_Bh.s.",
            "index": "10",
            "type": "numeric",
            "distinct": "440",
            "missing": "0",
            "min": "1",
            "max": "8",
            "mean": "5",
            "stdev": "1"
        },
        {
            "name": "VAR",
            "index": "11",
            "type": "numeric",
            "distinct": "259",
            "missing": "0",
            "min": "6",
            "max": "873",
            "mean": "155",
            "stdev": "104"
        },
        {
            "name": "ATSC5e",
            "index": "12",
            "type": "numeric",
            "distinct": "693",
            "missing": "0",
            "min": "0",
            "max": "6",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "SpMax4_Bh.e.",
            "index": "13",
            "type": "numeric",
            "distinct": "405",
            "missing": "0",
            "min": "2",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "X2sol",
            "index": "14",
            "type": "numeric",
            "distinct": "743",
            "missing": "0",
            "min": "4",
            "max": "36",
            "mean": "14",
            "stdev": "4"
        },
        {
            "name": "Eig13_AEA.ed.",
            "index": "15",
            "type": "numeric",
            "distinct": "428",
            "missing": "0",
            "min": "0",
            "max": "5",
            "mean": "3",
            "stdev": "1"
        },
        {
            "name": "Psi_e_1",
            "index": "16",
            "type": "numeric",
            "distinct": "770",
            "missing": "0",
            "min": "1",
            "max": "18",
            "mean": "6",
            "stdev": "2"
        },
        {
            "name": "ZM2Mad",
            "index": "17",
            "type": "numeric",
            "distinct": "830",
            "missing": "0",
            "min": "63",
            "max": "536",
            "mean": "245",
            "stdev": "75"
        },
        {
            "name": "SM04_EA",
            "index": "18",
            "type": "numeric",
            "distinct": "296",
            "missing": "0",
            "min": "5",
            "max": "7",
            "mean": "6",
            "stdev": "0"
        },
        {
            "name": "Psi_i_s",
            "index": "19",
            "type": "numeric",
            "distinct": "579",
            "missing": "0",
            "min": "25",
            "max": "219",
            "mean": "84",
            "stdev": "24"
        },
        {
            "name": "VvdwMG",
            "index": "20",
            "type": "numeric",
            "distinct": "705",
            "missing": "0",
            "min": "50",
            "max": "636",
            "mean": "222",
            "stdev": "68"
        },
        {
            "name": "Vx",
            "index": "21",
            "type": "numeric",
            "distinct": "705",
            "missing": "0",
            "min": "114",
            "max": "1545",
            "mean": "534",
            "stdev": "165"
        },
        {
            "name": "GGI1",
            "index": "22",
            "type": "numeric",
            "distinct": "27",
            "missing": "0",
            "min": "3",
            "max": "22",
            "mean": "8",
            "stdev": "2"
        },
        {
            "name": "SpMax4_Bh.p.",
            "index": "23",
            "type": "numeric",
            "distinct": "442",
            "missing": "0",
            "min": "1",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "SpMax3_Bh.v.",
            "index": "24",
            "type": "numeric",
            "distinct": "406",
            "missing": "0",
            "min": "2",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "SM03_AEA.ed.",
            "index": "25",
            "type": "numeric",
            "distinct": "516",
            "missing": "0",
            "min": "6",
            "max": "8",
            "mean": "7",
            "stdev": "0"
        },
        {
            "name": "MDDD",
            "index": "26",
            "type": "numeric",
            "distinct": "731",
            "missing": "0",
            "min": "2",
            "max": "205",
            "mean": "35",
            "stdev": "23"
        },
        {
            "name": "X0sol",
            "index": "27",
            "type": "numeric",
            "distinct": "570",
            "missing": "0",
            "min": "5",
            "max": "63",
            "mean": "23",
            "stdev": "7"
        },
        {
            "name": "VvdwZAZ",
            "index": "28",
            "type": "numeric",
            "distinct": "721",
            "missing": "0",
            "min": "82",
            "max": "1179",
            "mean": "396",
            "stdev": "122"
        },
        {
            "name": "SpMax3_Bh.i.",
            "index": "29",
            "type": "numeric",
            "distinct": "351",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "X5v",
            "index": "30",
            "type": "numeric",
            "distinct": "773",
            "missing": "0",
            "min": "0",
            "max": "8",
            "mean": "3",
            "stdev": "1"
        },
        {
            "name": "SpMax4_Bh.i.",
            "index": "31",
            "type": "numeric",
            "distinct": "420",
            "missing": "0",
            "min": "2",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "SM02_EA.ed.",
            "index": "32",
            "type": "numeric",
            "distinct": "412",
            "missing": "0",
            "min": "5",
            "max": "8",
            "mean": "7",
            "stdev": "0"
        },
        {
            "name": "Eig03_AEA.ri.",
            "index": "33",
            "type": "numeric",
            "distinct": "464",
            "missing": "0",
            "min": "0",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "Eig03_EA.ri.",
            "index": "34",
            "type": "numeric",
            "distinct": "469",
            "missing": "0",
            "min": "-1",
            "max": "3",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "SpMin5_Bh.e.",
            "index": "35",
            "type": "numeric",
            "distinct": "469",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "Psi_e_0",
            "index": "36",
            "type": "numeric",
            "distinct": "813",
            "missing": "0",
            "min": "2",
            "max": "32",
            "mean": "12",
            "stdev": "4"
        },
        {
            "name": "SMTIV",
            "index": "37",
            "type": "numeric",
            "distinct": "810",
            "missing": "0",
            "min": "380",
            "max": "421930",
            "mean": "28484",
            "stdev": "35591"
        },
        {
            "name": "Eig14_AEA.ed.",
            "index": "38",
            "type": "numeric",
            "distinct": "452",
            "missing": "0",
            "min": "0",
            "max": "5",
            "mean": "3",
            "stdev": "1"
        },
        {
            "name": "SpMax3_Bh.p.",
            "index": "39",
            "type": "numeric",
            "distinct": "406",
            "missing": "0",
            "min": "2",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ISIZ",
            "index": "40",
            "type": "numeric",
            "distinct": "101",
            "missing": "0",
            "min": "38",
            "max": "1331",
            "mean": "324",
            "stdev": "139"
        },
        {
            "name": "nAT",
            "index": "41",
            "type": "numeric",
            "distinct": "101",
            "missing": "0",
            "min": "11",
            "max": "178",
            "mean": "55",
            "stdev": "19"
        },
        {
            "name": "IDDM",
            "index": "42",
            "type": "numeric",
            "distinct": "359",
            "missing": "0",
            "min": "3",
            "max": "6",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "nSK",
            "index": "43",
            "type": "numeric",
            "distinct": "67",
            "missing": "0",
            "min": "6",
            "max": "83",
            "mean": "31",
            "stdev": "10"
        },
        {
            "name": "SpMin4_Bh.i.",
            "index": "44",
            "type": "numeric",
            "distinct": "422",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "SpMax5_Bh.p.",
            "index": "45",
            "type": "numeric",
            "distinct": "487",
            "missing": "0",
            "min": "0",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "SpMax8_Bh.m.",
            "index": "46",
            "type": "numeric",
            "distinct": "444",
            "missing": "0",
            "min": "0",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "Sv",
            "index": "47",
            "type": "numeric",
            "distinct": "721",
            "missing": "0",
            "min": "6",
            "max": "101",
            "mean": "35",
            "stdev": "11"
        },
        {
            "name": "SpMax8_Bh.e.",
            "index": "48",
            "type": "numeric",
            "distinct": "427",
            "missing": "0",
            "min": "0",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "X1sol",
            "index": "49",
            "type": "numeric",
            "distinct": "684",
            "missing": "0",
            "min": "3",
            "max": "40",
            "mean": "15",
            "stdev": "5"
        },
        {
            "name": "Eig11_AEA.ed.",
            "index": "50",
            "type": "numeric",
            "distinct": "461",
            "missing": "0",
            "min": "0",
            "max": "5",
            "mean": "3",
            "stdev": "1"
        },
        {
            "name": "Psi_i_0",
            "index": "51",
            "type": "numeric",
            "distinct": "766",
            "missing": "0",
            "min": "4",
            "max": "59",
            "mean": "21",
            "stdev": "7"
        },
        {
            "name": "Eig03_EA",
            "index": "52",
            "type": "numeric",
            "distinct": "427",
            "missing": "0",
            "min": "-1",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "SM11_AEA.bo.",
            "index": "53",
            "type": "numeric",
            "distinct": "427",
            "missing": "0",
            "min": "-1",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "Pol",
            "index": "54",
            "type": "numeric",
            "distinct": "97",
            "missing": "0",
            "min": "3",
            "max": "143",
            "mean": "49",
            "stdev": "17"
        },
        {
            "name": "BID",
            "index": "55",
            "type": "numeric",
            "distinct": "149",
            "missing": "0",
            "min": "2",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "SM02_AEA.ed.",
            "index": "56",
            "type": "numeric",
            "distinct": "245",
            "missing": "0",
            "min": "4",
            "max": "7",
            "mean": "6",
            "stdev": "0"
        },
        {
            "name": "X5sol",
            "index": "57",
            "type": "numeric",
            "distinct": "736",
            "missing": "0",
            "min": "0",
            "max": "19",
            "mean": "7",
            "stdev": "3"
        },
        {
            "name": "SM04_AEA.bo.",
            "index": "58",
            "type": "numeric",
            "distinct": "527",
            "missing": "0",
            "min": "6",
            "max": "8",
            "mean": "8",
            "stdev": "0"
        },
        {
            "name": "Psi_i_1",
            "index": "59",
            "type": "numeric",
            "distinct": "810",
            "missing": "0",
            "min": "2",
            "max": "50",
            "mean": "17",
            "stdev": "6"
        },
        {
            "name": "SpAD_EA.ri.",
            "index": "60",
            "type": "numeric",
            "distinct": "851",
            "missing": "0",
            "min": "7",
            "max": "127",
            "mean": "47",
            "stdev": "15"
        },
        {
            "name": "ZM1Mad",
            "index": "61",
            "type": "numeric",
            "distinct": "796",
            "missing": "0",
            "min": "62",
            "max": "463",
            "mean": "216",
            "stdev": "65"
        },
        {
            "name": "Eig04_AEA.ed.",
            "index": "62",
            "type": "numeric",
            "distinct": "467",
            "missing": "0",
            "min": "2",
            "max": "8",
            "mean": "5",
            "stdev": "1"
        },
        {
            "name": "Eig15_AEA.ed.",
            "index": "63",
            "type": "numeric",
            "distinct": "435",
            "missing": "0",
            "min": "0",
            "max": "5",
            "mean": "3",
            "stdev": "1"
        },
        {
            "name": "Eig12_AEA.ed.",
            "index": "64",
            "type": "numeric",
            "distinct": "439",
            "missing": "0",
            "min": "0",
            "max": "5",
            "mean": "3",
            "stdev": "1"
        },
        {
            "name": "SpMin4_Bh.e.",
            "index": "65",
            "type": "numeric",
            "distinct": "444",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "S2K",
            "index": "66",
            "type": "numeric",
            "distinct": "713",
            "missing": "0",
            "min": "2",
            "max": "36",
            "mean": "10",
            "stdev": "4"
        },
        {
            "name": "SpMax3_Bh.m.",
            "index": "67",
            "type": "numeric",
            "distinct": "395",
            "missing": "0",
            "min": "2",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ECC",
            "index": "68",
            "type": "numeric",
            "distinct": "436",
            "missing": "0",
            "min": "16",
            "max": "3184",
            "mean": "406",
            "stdev": "302"
        },
        {
            "name": "ATSC7m",
            "index": "69",
            "type": "numeric",
            "distinct": "846",
            "missing": "0",
            "min": "0",
            "max": "172",
            "mean": "36",
            "stdev": "20"
        }
    ],
    "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
}