{
    "data_id": "27008",
    "name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL2568",
    "exact_name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL2568",
    "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: CHEMBL2568 (TID: 11442), and it has 517 rows and 67 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 20:34:35",
    "update_comment": null,
    "last_update": "2016-07-14 20:34:35",
    "licence": "Public",
    "status": "deactivated",
    "error_message": null,
    "url": "https:\/\/www.openml.org\/data\/download\/3318833\/data_53242.arff",
    "kaggle_url": null,
    "default_target_attribute": "pXC50",
    "row_id_attribute": "molecule_id",
    "ignore_attribute": null,
    "runs": 2,
    "suggest": {
        "input": [
            "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL2568",
            "This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL2568 (TID: 11442), and it has 517 rows and 67 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": 517,
        "NumberOfFeatures": 69,
        "NumberOfClasses": 0,
        "NumberOfMissingValues": 0,
        "NumberOfInstancesWithMissingValues": 0,
        "NumberOfNumericFeatures": 68,
        "NumberOfSymbolicFeatures": 1,
        "MaxSkewnessOfNumericAtts": 7.023651802915434,
        "MinStdDevOfNumericAtts": 0.005565737499523687,
        "Quartile1AttributeEntropy": null,
        "Quartile3SkewnessOfNumericAtts": 0.8374441610267891,
        "MaxStdDevOfNumericAtts": 33.33951894305095,
        "MinorityClassPercentage": null,
        "Quartile1KurtosisOfNumericAtts": 0.10071006966207974,
        "Quartile3StdDevOfNumericAtts": 0.44530172573353344,
        "MeanAttributeEntropy": null,
        "MinorityClassSize": null,
        "Quartile1MeansOfNumericAtts": 0.43845793036750486,
        "StdvNominalAttDistinctValues": null,
        "MeanKurtosisOfNumericAtts": 7.25821221800852,
        "NumberOfBinaryFeatures": 0,
        "Quartile1MutualInformation": null,
        "MeanMeansOfNumericAtts": 3.977274405506883,
        "Quartile1SkewnessOfNumericAtts": -0.8795677797475203,
        "MeanMutualInformation": null,
        "Quartile1StdDevOfNumericAtts": 0.06756144407200085,
        "AutoCorrelation": 0.1543178294573639,
        "MeanNoiseToSignalRatio": null,
        "Quartile2AttributeEntropy": null,
        "ClassEntropy": null,
        "MeanNominalAttDistinctValues": null,
        "Quartile2KurtosisOfNumericAtts": 1.7643488816306214,
        "Dimensionality": 0.13346228239845262,
        "MeanSkewnessOfNumericAtts": -0.2501620813716438,
        "Quartile2MeansOfNumericAtts": 2.0064555125725336,
        "EquivalentNumberOfAtts": null,
        "MajorityClassPercentage": null,
        "MeanStdDevOfNumericAtts": 1.4985366522466406,
        "Quartile2MutualInformation": null,
        "MajorityClassSize": null,
        "MinAttributeEntropy": null,
        "Quartile2SkewnessOfNumericAtts": 0.09479456257181589,
        "MaxAttributeEntropy": null,
        "MinKurtosisOfNumericAtts": -1.8825765842885944,
        "PercentageOfBinaryFeatures": 0,
        "Quartile2StdDevOfNumericAtts": 0.16542455434349537,
        "MaxKurtosisOfNumericAtts": 60.30430928431456,
        "MinMeansOfNumericAtts": 0.03854738878143134,
        "PercentageOfInstancesWithMissingValues": 0,
        "Quartile3AttributeEntropy": null,
        "MaxMeansOfNumericAtts": 37.364187620889744,
        "MinMutualInformation": null,
        "PercentageOfMissingValues": 0,
        "Quartile3KurtosisOfNumericAtts": 7.204144649344725,
        "MaxMutualInformation": null,
        "MinNominalAttDistinctValues": null,
        "PercentageOfNumericFeatures": 98.55072463768117,
        "Quartile3MeansOfNumericAtts": 4.207641199226305,
        "MaxNominalAttDistinctValues": null,
        "MinSkewnessOfNumericAtts": -4.450652547689361,
        "PercentageOfSymbolicFeatures": 1.4492753623188406,
        "Quartile3MutualInformation": null
    },
    "tags": [
        {
            "tag": "MetaQSAR",
            "uploader": "62"
        },
        {
            "tag": "study_13",
            "uploader": "62"
        }
    ],
    "features": [
        {
            "name": "pXC50",
            "index": "68",
            "type": "numeric",
            "distinct": "307",
            "missing": "0",
            "target": "1",
            "min": "4",
            "max": "9",
            "mean": "6",
            "stdev": "1"
        },
        {
            "name": "molecule_id",
            "index": "0",
            "type": "nominal",
            "distinct": "517",
            "missing": "0",
            "identifier": "1",
            "distr": []
        },
        {
            "name": "X4A",
            "index": "1",
            "type": "numeric",
            "distinct": "39",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "PW5",
            "index": "2",
            "type": "numeric",
            "distinct": "58",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "X5A",
            "index": "3",
            "type": "numeric",
            "distinct": "33",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "X3A",
            "index": "4",
            "type": "numeric",
            "distinct": "52",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "SpMAD_AEA.bo.",
            "index": "5",
            "type": "numeric",
            "distinct": "126",
            "missing": "0",
            "min": "1",
            "max": "2",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "P_VSA_LogP_6",
            "index": "6",
            "type": "numeric",
            "distinct": "35",
            "missing": "0",
            "min": "0",
            "max": "68",
            "mean": "11",
            "stdev": "14"
        },
        {
            "name": "RCI",
            "index": "7",
            "type": "numeric",
            "distinct": "23",
            "missing": "0",
            "min": "1",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "RFD",
            "index": "8",
            "type": "numeric",
            "distinct": "22",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "SpMAD_AEA.ri.",
            "index": "9",
            "type": "numeric",
            "distinct": "124",
            "missing": "0",
            "min": "1",
            "max": "2",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "D.Dtr08",
            "index": "10",
            "type": "numeric",
            "distinct": "42",
            "missing": "0",
            "min": "0",
            "max": "146",
            "mean": "12",
            "stdev": "33"
        },
        {
            "name": "Eig05_AEA.ed.",
            "index": "11",
            "type": "numeric",
            "distinct": "246",
            "missing": "0",
            "min": "2",
            "max": "6",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "SpMAD_EA.ed.",
            "index": "12",
            "type": "numeric",
            "distinct": "291",
            "missing": "0",
            "min": "4",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "SpMax2_Bh.e.",
            "index": "13",
            "type": "numeric",
            "distinct": "146",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "CATS2D_03_DA",
            "index": "14",
            "type": "numeric",
            "distinct": "6",
            "missing": "0",
            "min": "0",
            "max": "5",
            "mean": "2",
            "stdev": "1"
        },
        {
            "name": "C.035",
            "index": "15",
            "type": "numeric",
            "distinct": "3",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "0",
            "stdev": "1"
        },
        {
            "name": "Cl.090",
            "index": "16",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "Rbrid",
            "index": "17",
            "type": "numeric",
            "distinct": "3",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "nR08",
            "index": "18",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "Eta_sh_y",
            "index": "19",
            "type": "numeric",
            "distinct": "155",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "nCIR",
            "index": "20",
            "type": "numeric",
            "distinct": "8",
            "missing": "0",
            "min": "1",
            "max": "8",
            "mean": "4",
            "stdev": "1"
        },
        {
            "name": "SaaS",
            "index": "21",
            "type": "numeric",
            "distinct": "53",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "SpMax2_Bh.i.",
            "index": "22",
            "type": "numeric",
            "distinct": "157",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "SpMAD_AEA.dm.",
            "index": "23",
            "type": "numeric",
            "distinct": "148",
            "missing": "0",
            "min": "1",
            "max": "2",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "SpMax2_Bh.v.",
            "index": "24",
            "type": "numeric",
            "distinct": "170",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "nThiophenes",
            "index": "25",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "SRW09",
            "index": "26",
            "type": "numeric",
            "distinct": "43",
            "missing": "0",
            "min": "0",
            "max": "8",
            "mean": "4",
            "stdev": "4"
        },
        {
            "name": "SpMax1_Bh.s.",
            "index": "27",
            "type": "numeric",
            "distinct": "36",
            "missing": "0",
            "min": "6",
            "max": "9",
            "mean": "8",
            "stdev": "0"
        },
        {
            "name": "NNRS",
            "index": "28",
            "type": "numeric",
            "distinct": "5",
            "missing": "0",
            "min": "1",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "DECC",
            "index": "29",
            "type": "numeric",
            "distinct": "262",
            "missing": "0",
            "min": "1",
            "max": "3",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "SRW07",
            "index": "30",
            "type": "numeric",
            "distinct": "16",
            "missing": "0",
            "min": "0",
            "max": "6",
            "mean": "3",
            "stdev": "2"
        },
        {
            "name": "GATS4m",
            "index": "31",
            "type": "numeric",
            "distinct": "291",
            "missing": "0",
            "min": "1",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "MPC06",
            "index": "32",
            "type": "numeric",
            "distinct": "105",
            "missing": "0",
            "min": "2",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "Eig02_AEA.ri.",
            "index": "33",
            "type": "numeric",
            "distinct": "231",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "MATS6m",
            "index": "34",
            "type": "numeric",
            "distinct": "281",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "SpMax2_Bh.p.",
            "index": "35",
            "type": "numeric",
            "distinct": "176",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "C.041",
            "index": "36",
            "type": "numeric",
            "distinct": "3",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "Eig02_AEA.bo.",
            "index": "37",
            "type": "numeric",
            "distinct": "205",
            "missing": "0",
            "min": "3",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "SpMin1_Bh.e.",
            "index": "38",
            "type": "numeric",
            "distinct": "99",
            "missing": "0",
            "min": "2",
            "max": "2",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "SpMin1_Bh.i.",
            "index": "39",
            "type": "numeric",
            "distinct": "85",
            "missing": "0",
            "min": "2",
            "max": "2",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "IC1",
            "index": "40",
            "type": "numeric",
            "distinct": "316",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "SpMax1_Bh.m.",
            "index": "41",
            "type": "numeric",
            "distinct": "146",
            "missing": "0",
            "min": "4",
            "max": "11",
            "mean": "4",
            "stdev": "1"
        },
        {
            "name": "SpMin1_Bh.p.",
            "index": "42",
            "type": "numeric",
            "distinct": "121",
            "missing": "0",
            "min": "2",
            "max": "2",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "MWC10",
            "index": "43",
            "type": "numeric",
            "distinct": "299",
            "missing": "0",
            "min": "10",
            "max": "13",
            "mean": "12",
            "stdev": "0"
        },
        {
            "name": "NaaS",
            "index": "44",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "P_VSA_LogP_2",
            "index": "45",
            "type": "numeric",
            "distinct": "128",
            "missing": "0",
            "min": "0",
            "max": "97",
            "mean": "37",
            "stdev": "18"
        },
        {
            "name": "SpMin1_Bh.v.",
            "index": "46",
            "type": "numeric",
            "distinct": "116",
            "missing": "0",
            "min": "2",
            "max": "2",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "Eig02_EA.ri.",
            "index": "47",
            "type": "numeric",
            "distinct": "220",
            "missing": "0",
            "min": "2",
            "max": "3",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "Eig02_EA",
            "index": "48",
            "type": "numeric",
            "distinct": "200",
            "missing": "0",
            "min": "2",
            "max": "3",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "SM10_AEA.bo.",
            "index": "49",
            "type": "numeric",
            "distinct": "200",
            "missing": "0",
            "min": "2",
            "max": "3",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "SIC1",
            "index": "50",
            "type": "numeric",
            "distinct": "195",
            "missing": "0",
            "min": "1",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "Eig02_AEA.ed.",
            "index": "51",
            "type": "numeric",
            "distinct": "165",
            "missing": "0",
            "min": "5",
            "max": "7",
            "mean": "6",
            "stdev": "0"
        },
        {
            "name": "JGI3",
            "index": "52",
            "type": "numeric",
            "distinct": "48",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "nCONN",
            "index": "53",
            "type": "numeric",
            "distinct": "3",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "SpMAD_EA",
            "index": "54",
            "type": "numeric",
            "distinct": "111",
            "missing": "0",
            "min": "1",
            "max": "2",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "MPC07",
            "index": "55",
            "type": "numeric",
            "distinct": "126",
            "missing": "0",
            "min": "1",
            "max": "5",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "GATS3m",
            "index": "56",
            "type": "numeric",
            "distinct": "281",
            "missing": "0",
            "min": "1",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "X2A",
            "index": "57",
            "type": "numeric",
            "distinct": "49",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "GATS2m",
            "index": "58",
            "type": "numeric",
            "distinct": "240",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "P_VSA_LogP_5",
            "index": "59",
            "type": "numeric",
            "distinct": "192",
            "missing": "0",
            "min": "0",
            "max": "102",
            "mean": "31",
            "stdev": "15"
        },
        {
            "name": "SpMAD_AEA.ed.",
            "index": "60",
            "type": "numeric",
            "distinct": "139",
            "missing": "0",
            "min": "1",
            "max": "2",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "SM05_EA.bo.",
            "index": "61",
            "type": "numeric",
            "distinct": "237",
            "missing": "0",
            "min": "5",
            "max": "8",
            "mean": "8",
            "stdev": "0"
        },
        {
            "name": "SM09_EA.bo.",
            "index": "62",
            "type": "numeric",
            "distinct": "286",
            "missing": "0",
            "min": "10",
            "max": "14",
            "mean": "14",
            "stdev": "0"
        },
        {
            "name": "SM10_EA.bo.",
            "index": "63",
            "type": "numeric",
            "distinct": "292",
            "missing": "0",
            "min": "11",
            "max": "16",
            "mean": "15",
            "stdev": "0"
        },
        {
            "name": "Eig01_EA",
            "index": "64",
            "type": "numeric",
            "distinct": "173",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "SM09_AEA.bo.",
            "index": "65",
            "type": "numeric",
            "distinct": "173",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "SpMax_EA",
            "index": "66",
            "type": "numeric",
            "distinct": "173",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "CIC1",
            "index": "67",
            "type": "numeric",
            "distinct": "366",
            "missing": "0",
            "min": "1",
            "max": "3",
            "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
}