{
    "data_id": "27916",
    "name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL2978",
    "exact_name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL2978",
    "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: CHEMBL2978 (TID: 10113), and it has 131 rows and 63 features (not including molecule IDs and class feature: molecule_id and pXC50). The features represent Molecular Descriptors which were generated from SMILES strings. Missing value imputation was applied to this dataset (By choosing the Median). Feature selection was also applied.",
    "format": "ARFF",
    "uploader": "Noureddin Sadawi",
    "uploader_id": 62,
    "visibility": "public",
    "creator": "\"Dr Jeremy Besnard, Dr Ivan Olier, Dr Noureddin Sadawi, Dr Larisa Soldatova, Dr Crina Grosan, Prof Ross King, Dr Richard Bickerton, Prof Andrew Hopkins and Dr Willem van Hoorn\"",
    "contributor": null,
    "date": "2016-07-14 22:42:21",
    "update_comment": null,
    "last_update": "2016-07-14 22:42:21",
    "licence": "Public",
    "status": "deactivated",
    "error_message": null,
    "url": "https:\/\/www.openml.org\/data\/download\/3344196\/data_52573.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-CHEMBL2978",
            "This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL2978 (TID: 10113), and it has 131 rows and 63 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": 131,
        "NumberOfFeatures": 65,
        "NumberOfClasses": 0,
        "NumberOfMissingValues": 0,
        "NumberOfInstancesWithMissingValues": 0,
        "NumberOfNumericFeatures": 64,
        "NumberOfSymbolicFeatures": 1,
        "MaxSkewnessOfNumericAtts": 9.223796852343009,
        "MinStdDevOfNumericAtts": 0.016310338089585825,
        "Quartile1AttributeEntropy": null,
        "Quartile3SkewnessOfNumericAtts": 5.599130731544343,
        "MaxStdDevOfNumericAtts": 98.91295465003087,
        "MinorityClassPercentage": null,
        "Quartile1KurtosisOfNumericAtts": 11.848938348115016,
        "Quartile3StdDevOfNumericAtts": 1.048525860871361,
        "MeanAttributeEntropy": null,
        "MinorityClassSize": null,
        "Quartile1MeansOfNumericAtts": 1.6081812977099237,
        "StdvNominalAttDistinctValues": null,
        "MeanKurtosisOfNumericAtts": 30.25547549252642,
        "NumberOfBinaryFeatures": 0,
        "Quartile1MutualInformation": null,
        "MeanMeansOfNumericAtts": 5.131333373091603,
        "Quartile1SkewnessOfNumericAtts": 2.3095744855451428,
        "MeanMutualInformation": null,
        "Quartile1StdDevOfNumericAtts": 0.10580738877631198,
        "AutoCorrelation": 0.555523076923077,
        "MeanNoiseToSignalRatio": null,
        "Quartile2AttributeEntropy": null,
        "ClassEntropy": null,
        "MeanNominalAttDistinctValues": null,
        "Quartile2KurtosisOfNumericAtts": 17.314431554455844,
        "Dimensionality": 0.4961832061068702,
        "MeanSkewnessOfNumericAtts": 4.115153798063618,
        "Quartile2MeansOfNumericAtts": 2.7294503816793894,
        "EquivalentNumberOfAtts": null,
        "MajorityClassPercentage": null,
        "MeanStdDevOfNumericAtts": 4.141453535320184,
        "Quartile2MutualInformation": null,
        "MajorityClassSize": null,
        "MinAttributeEntropy": null,
        "Quartile2SkewnessOfNumericAtts": 3.304450668539542,
        "MaxAttributeEntropy": null,
        "MinKurtosisOfNumericAtts": 0.1657932680803076,
        "PercentageOfBinaryFeatures": 0,
        "Quartile2StdDevOfNumericAtts": 0.3293993216364273,
        "MaxKurtosisOfNumericAtts": 91.57508488979077,
        "MinMeansOfNumericAtts": 0.10613740458015268,
        "PercentageOfInstancesWithMissingValues": 0,
        "Quartile3AttributeEntropy": null,
        "MaxMeansOfNumericAtts": 50.239969465648855,
        "MinMutualInformation": null,
        "PercentageOfMissingValues": 0,
        "Quartile3KurtosisOfNumericAtts": 35.40772088848453,
        "MaxMutualInformation": null,
        "MinNominalAttDistinctValues": null,
        "PercentageOfNumericFeatures": 98.46153846153847,
        "Quartile3MeansOfNumericAtts": 4.347465648854962,
        "MaxNominalAttDistinctValues": null,
        "MinSkewnessOfNumericAtts": -3.796202245224967,
        "PercentageOfSymbolicFeatures": 1.5384615384615385,
        "Quartile3MutualInformation": null
    },
    "tags": [
        {
            "tag": "MetaQSAR",
            "uploader": "62"
        },
        {
            "tag": "study_13",
            "uploader": "62"
        }
    ],
    "features": [
        {
            "name": "pXC50",
            "index": "64",
            "type": "numeric",
            "distinct": "87",
            "missing": "0",
            "target": "1",
            "min": "4",
            "max": "9",
            "mean": "5",
            "stdev": "1"
        },
        {
            "name": "molecule_id",
            "index": "0",
            "type": "nominal",
            "distinct": "131",
            "missing": "0",
            "identifier": "1",
            "distr": []
        },
        {
            "name": "SpMax2_Bh.v.",
            "index": "1",
            "type": "numeric",
            "distinct": "66",
            "missing": "0",
            "min": "4",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "SpMax2_Bh.p.",
            "index": "2",
            "type": "numeric",
            "distinct": "67",
            "missing": "0",
            "min": "4",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "SpMax2_Bh.i.",
            "index": "3",
            "type": "numeric",
            "distinct": "67",
            "missing": "0",
            "min": "4",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "SpMax2_Bh.e.",
            "index": "4",
            "type": "numeric",
            "distinct": "73",
            "missing": "0",
            "min": "4",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "Eig11_EA.bo.",
            "index": "5",
            "type": "numeric",
            "distinct": "75",
            "missing": "0",
            "min": "1",
            "max": "4",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "Eta_betaP",
            "index": "6",
            "type": "numeric",
            "distinct": "28",
            "missing": "0",
            "min": "8",
            "max": "181",
            "mean": "20",
            "stdev": "16"
        },
        {
            "name": "Eig11_AEA.bo.",
            "index": "7",
            "type": "numeric",
            "distinct": "73",
            "missing": "0",
            "min": "2",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "IC2",
            "index": "8",
            "type": "numeric",
            "distinct": "92",
            "missing": "0",
            "min": "4",
            "max": "6",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "SpMax6_Bh.i.",
            "index": "9",
            "type": "numeric",
            "distinct": "65",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "SpMin7_Bh.i.",
            "index": "10",
            "type": "numeric",
            "distinct": "57",
            "missing": "0",
            "min": "1",
            "max": "2",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "C.002",
            "index": "11",
            "type": "numeric",
            "distinct": "8",
            "missing": "0",
            "min": "1",
            "max": "40",
            "mean": "3",
            "stdev": "4"
        },
        {
            "name": "Eig09_EA.bo.",
            "index": "12",
            "type": "numeric",
            "distinct": "68",
            "missing": "0",
            "min": "1",
            "max": "4",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "SpMaxA_AEA.ri.",
            "index": "13",
            "type": "numeric",
            "distinct": "31",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "SpMin2_Bh.i.",
            "index": "14",
            "type": "numeric",
            "distinct": "48",
            "missing": "0",
            "min": "2",
            "max": "2",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "SpMin7_Bh.s.",
            "index": "15",
            "type": "numeric",
            "distinct": "31",
            "missing": "0",
            "min": "1",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "Eig13_AEA.bo.",
            "index": "16",
            "type": "numeric",
            "distinct": "67",
            "missing": "0",
            "min": "1",
            "max": "4",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "ATS7v",
            "index": "17",
            "type": "numeric",
            "distinct": "111",
            "missing": "0",
            "min": "4",
            "max": "7",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS8v",
            "index": "18",
            "type": "numeric",
            "distinct": "109",
            "missing": "0",
            "min": "4",
            "max": "7",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATSC4i",
            "index": "19",
            "type": "numeric",
            "distinct": "113",
            "missing": "0",
            "min": "2",
            "max": "25",
            "mean": "3",
            "stdev": "2"
        },
        {
            "name": "ATSC4p",
            "index": "20",
            "type": "numeric",
            "distinct": "125",
            "missing": "0",
            "min": "14",
            "max": "169",
            "mean": "20",
            "stdev": "15"
        },
        {
            "name": "Eig05_EA.bo.",
            "index": "21",
            "type": "numeric",
            "distinct": "71",
            "missing": "0",
            "min": "2",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "Eig14_AEA.ri.",
            "index": "22",
            "type": "numeric",
            "distinct": "53",
            "missing": "0",
            "min": "1",
            "max": "4",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "Eig14_EA",
            "index": "23",
            "type": "numeric",
            "distinct": "36",
            "missing": "0",
            "min": "0",
            "max": "3",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "Eig14_EA.ed.",
            "index": "24",
            "type": "numeric",
            "distinct": "44",
            "missing": "0",
            "min": "-1",
            "max": "9",
            "mean": "2",
            "stdev": "1"
        },
        {
            "name": "Eig14_EA.ri.",
            "index": "25",
            "type": "numeric",
            "distinct": "54",
            "missing": "0",
            "min": "0",
            "max": "3",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "Eig15_AEA.ri.",
            "index": "26",
            "type": "numeric",
            "distinct": "79",
            "missing": "0",
            "min": "0",
            "max": "4",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "Eig15_EA",
            "index": "27",
            "type": "numeric",
            "distinct": "57",
            "missing": "0",
            "min": "-1",
            "max": "3",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "Eig15_EA.ri.",
            "index": "28",
            "type": "numeric",
            "distinct": "79",
            "missing": "0",
            "min": "0",
            "max": "3",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "SM08_AEA.dm.",
            "index": "29",
            "type": "numeric",
            "distinct": "36",
            "missing": "0",
            "min": "0",
            "max": "3",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "SM09_AEA.dm.",
            "index": "30",
            "type": "numeric",
            "distinct": "57",
            "missing": "0",
            "min": "-1",
            "max": "3",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "SM09_AEA.ri.",
            "index": "31",
            "type": "numeric",
            "distinct": "44",
            "missing": "0",
            "min": "-1",
            "max": "9",
            "mean": "2",
            "stdev": "1"
        },
        {
            "name": "SM15_AEA.ri.",
            "index": "32",
            "type": "numeric",
            "distinct": "71",
            "missing": "0",
            "min": "2",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "SpMin3_Bh.m.",
            "index": "33",
            "type": "numeric",
            "distinct": "63",
            "missing": "0",
            "min": "2",
            "max": "2",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "nCs",
            "index": "34",
            "type": "numeric",
            "distinct": "9",
            "missing": "0",
            "min": "1",
            "max": "80",
            "mean": "5",
            "stdev": "8"
        },
        {
            "name": "SpMin2_Bh.e.",
            "index": "35",
            "type": "numeric",
            "distinct": "50",
            "missing": "0",
            "min": "2",
            "max": "2",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "ATSC7i",
            "index": "36",
            "type": "numeric",
            "distinct": "113",
            "missing": "0",
            "min": "1",
            "max": "33",
            "mean": "2",
            "stdev": "3"
        },
        {
            "name": "Eig13_AEA.ed.",
            "index": "37",
            "type": "numeric",
            "distinct": "68",
            "missing": "0",
            "min": "3",
            "max": "6",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "SpMin3_Bh.v.",
            "index": "38",
            "type": "numeric",
            "distinct": "64",
            "missing": "0",
            "min": "2",
            "max": "2",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "SpMin6_Bh.e.",
            "index": "39",
            "type": "numeric",
            "distinct": "56",
            "missing": "0",
            "min": "1",
            "max": "2",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "SpMin6_Bh.i.",
            "index": "40",
            "type": "numeric",
            "distinct": "58",
            "missing": "0",
            "min": "1",
            "max": "2",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "SpMin6_Bh.p.",
            "index": "41",
            "type": "numeric",
            "distinct": "65",
            "missing": "0",
            "min": "1",
            "max": "2",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "SpMax6_Bh.e.",
            "index": "42",
            "type": "numeric",
            "distinct": "68",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "SpMax7_Bh.v.",
            "index": "43",
            "type": "numeric",
            "distinct": "65",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "ATS6p",
            "index": "44",
            "type": "numeric",
            "distinct": "102",
            "missing": "0",
            "min": "4",
            "max": "7",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS6v",
            "index": "45",
            "type": "numeric",
            "distinct": "107",
            "missing": "0",
            "min": "4",
            "max": "7",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS7e",
            "index": "46",
            "type": "numeric",
            "distinct": "109",
            "missing": "0",
            "min": "5",
            "max": "8",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "ATS7p",
            "index": "47",
            "type": "numeric",
            "distinct": "104",
            "missing": "0",
            "min": "4",
            "max": "7",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS8p",
            "index": "48",
            "type": "numeric",
            "distinct": "112",
            "missing": "0",
            "min": "4",
            "max": "7",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATSC2p",
            "index": "49",
            "type": "numeric",
            "distinct": "114",
            "missing": "0",
            "min": "9",
            "max": "118",
            "mean": "12",
            "stdev": "11"
        },
        {
            "name": "ATSC3i",
            "index": "50",
            "type": "numeric",
            "distinct": "110",
            "missing": "0",
            "min": "2",
            "max": "23",
            "mean": "3",
            "stdev": "2"
        },
        {
            "name": "ATSC3p",
            "index": "51",
            "type": "numeric",
            "distinct": "121",
            "missing": "0",
            "min": "13",
            "max": "158",
            "mean": "17",
            "stdev": "14"
        },
        {
            "name": "ATSC7p",
            "index": "52",
            "type": "numeric",
            "distinct": "127",
            "missing": "0",
            "min": "11",
            "max": "239",
            "mean": "18",
            "stdev": "23"
        },
        {
            "name": "ATSC8i",
            "index": "53",
            "type": "numeric",
            "distinct": "113",
            "missing": "0",
            "min": "1",
            "max": "36",
            "mean": "2",
            "stdev": "3"
        },
        {
            "name": "ATSC8p",
            "index": "54",
            "type": "numeric",
            "distinct": "123",
            "missing": "0",
            "min": "9",
            "max": "270",
            "mean": "18",
            "stdev": "26"
        },
        {
            "name": "Eta_C",
            "index": "55",
            "type": "numeric",
            "distinct": "127",
            "missing": "0",
            "min": "27",
            "max": "1074",
            "mean": "50",
            "stdev": "99"
        },
        {
            "name": "Eta_L",
            "index": "56",
            "type": "numeric",
            "distinct": "119",
            "missing": "0",
            "min": "8",
            "max": "112",
            "mean": "11",
            "stdev": "10"
        },
        {
            "name": "SpMin3_Bh.s.",
            "index": "57",
            "type": "numeric",
            "distinct": "48",
            "missing": "0",
            "min": "1",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "SpMin6_Bh.m.",
            "index": "58",
            "type": "numeric",
            "distinct": "41",
            "missing": "0",
            "min": "2",
            "max": "2",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "SpMin6_Bh.v.",
            "index": "59",
            "type": "numeric",
            "distinct": "56",
            "missing": "0",
            "min": "1",
            "max": "2",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "SpMin7_Bh.e.",
            "index": "60",
            "type": "numeric",
            "distinct": "51",
            "missing": "0",
            "min": "1",
            "max": "2",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "SpMin7_Bh.m.",
            "index": "61",
            "type": "numeric",
            "distinct": "44",
            "missing": "0",
            "min": "1",
            "max": "2",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "X2sol",
            "index": "62",
            "type": "numeric",
            "distinct": "97",
            "missing": "0",
            "min": "11",
            "max": "183",
            "mean": "18",
            "stdev": "17"
        },
        {
            "name": "IC3",
            "index": "63",
            "type": "numeric",
            "distinct": "86",
            "missing": "0",
            "min": "5",
            "max": "7",
            "mean": "5",
            "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
}