{
    "data_id": "24325",
    "name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL1916",
    "exact_name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL1916",
    "version": 7,
    "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: CHEMBL1916 (TID: 218), and it has 613 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": "2016-07-14 14:24:25",
    "update_comment": null,
    "last_update": "2016-07-14 14:24:25",
    "licence": "Public",
    "status": "deactivated",
    "error_message": null,
    "url": "https:\/\/www.openml.org\/data\/download\/3243994\/data_53491.arff",
    "default_target_attribute": "pXC50",
    "row_id_attribute": "molecule_id",
    "ignore_attribute": null,
    "runs": 2,
    "suggest": {
        "input": [
            "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL1916",
            "This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL1916 (TID: 218), and it has 613 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": 613,
        "NumberOfFeatures": 71,
        "NumberOfClasses": 0,
        "NumberOfMissingValues": 0,
        "NumberOfInstancesWithMissingValues": 0,
        "NumberOfNumericFeatures": 70,
        "NumberOfSymbolicFeatures": 1,
        "Quartile3StdDevOfNumericAtts": 5.325059166450667,
        "CfsSubsetEval_NaiveBayesAUC": null,
        "RandomTreeDepth3AUC": null,
        "J48.0001.ErrRate": null,
        "MeanMeansOfNumericAtts": 1052.5516481472848,
        "NaiveBayesErrRate": null,
        "Quartile1KurtosisOfNumericAtts": -0.7027610763067466,
        "REPTreeDepth1AUC": null,
        "CfsSubsetEval_NaiveBayesErrRate": null,
        "RandomTreeDepth3ErrRate": null,
        "J48.0001.Kappa": null,
        "MeanMutualInformation": null,
        "NaiveBayesKappa": null,
        "Quartile1MeansOfNumericAtts": 1.0175367047308312,
        "REPTreeDepth1ErrRate": null,
        "CfsSubsetEval_NaiveBayesKappa": null,
        "RandomTreeDepth3Kappa": null,
        "J48.001.AUC": null,
        "MeanNoiseToSignalRatio": null,
        "NumberOfBinaryFeatures": 0,
        "Quartile1MutualInformation": null,
        "REPTreeDepth1Kappa": null,
        "CfsSubsetEval_kNN1NAUC": null,
        "StdvNominalAttDistinctValues": null,
        "J48.001.ErrRate": null,
        "MeanNominalAttDistinctValues": null,
        "Quartile1SkewnessOfNumericAtts": -0.09149711531633434,
        "REPTreeDepth2AUC": null,
        "CfsSubsetEval_kNN1NErrRate": null,
        "kNN1NAUC": null,
        "J48.001.Kappa": null,
        "MeanSkewnessOfNumericAtts": 0.8659797472473558,
        "Quartile1StdDevOfNumericAtts": 0.4830846320674401,
        "Quartile2AttributeEntropy": null,
        "REPTreeDepth2ErrRate": null,
        "CfsSubsetEval_kNN1NKappa": null,
        "kNN1NErrRate": null,
        "MajorityClassPercentage": null,
        "MeanStdDevOfNumericAtts": 2728.634655874664,
        "Quartile2KurtosisOfNumericAtts": 0.03364062601494977,
        "REPTreeDepth2Kappa": null,
        "ClassEntropy": null,
        "kNN1NKappa": null,
        "MajorityClassSize": null,
        "MinAttributeEntropy": null,
        "Quartile2MeansOfNumericAtts": 3.7612969004893966,
        "REPTreeDepth3AUC": null,
        "DecisionStumpAUC": null,
        "MaxAttributeEntropy": null,
        "MinKurtosisOfNumericAtts": -1.323159976709589,
        "Quartile2MutualInformation": null,
        "REPTreeDepth3ErrRate": null,
        "DecisionStumpErrRate": null,
        "MaxKurtosisOfNumericAtts": 395.91798487098424,
        "MinMeansOfNumericAtts": 0.1321370309951061,
        "Quartile2SkewnessOfNumericAtts": 0.5765871026794077,
        "REPTreeDepth3Kappa": null,
        "DecisionStumpKappa": null,
        "MaxMeansOfNumericAtts": 49857.916802610096,
        "MinMutualInformation": null,
        "Quartile2StdDevOfNumericAtts": 1.200003545178889,
        "RandomTreeDepth1AUC": null,
        "Dimensionality": 0.11582381729200653,
        "MaxMutualInformation": null,
        "MinNominalAttDistinctValues": null,
        "PercentageOfBinaryFeatures": 0,
        "Quartile3AttributeEntropy": null,
        "RandomTreeDepth1ErrRate": null,
        "EquivalentNumberOfAtts": null,
        "MaxNominalAttDistinctValues": null,
        "MinSkewnessOfNumericAtts": -1.1288745372290232,
        "PercentageOfInstancesWithMissingValues": 0,
        "Quartile3KurtosisOfNumericAtts": 1.7082765751591076,
        "AutoCorrelation": -0.07472712418300793,
        "RandomTreeDepth1Kappa": null,
        "J48.00001.AUC": null,
        "MaxSkewnessOfNumericAtts": 18.28575027118212,
        "MinStdDevOfNumericAtts": 0.038044361115155224,
        "PercentageOfMissingValues": 0,
        "Quartile3MeansOfNumericAtts": 14.672872349102773,
        "CfsSubsetEval_DecisionStumpAUC": null,
        "RandomTreeDepth2AUC": null,
        "J48.00001.ErrRate": null,
        "MaxStdDevOfNumericAtts": 167938.10936067632,
        "MinorityClassPercentage": null,
        "PercentageOfNumericFeatures": 98.59154929577466,
        "Quartile3MutualInformation": null,
        "CfsSubsetEval_DecisionStumpErrRate": null,
        "RandomTreeDepth2ErrRate": null,
        "J48.00001.Kappa": null,
        "MeanAttributeEntropy": null,
        "MinorityClassSize": null,
        "PercentageOfSymbolicFeatures": 1.4084507042253522,
        "Quartile3SkewnessOfNumericAtts": 1.2891606159427915,
        "CfsSubsetEval_DecisionStumpKappa": null,
        "RandomTreeDepth2Kappa": null,
        "J48.0001.AUC": null,
        "MeanKurtosisOfNumericAtts": 6.907530353498623,
        "NaiveBayesAUC": null,
        "Quartile1AttributeEntropy": null
    },
    "tags": [
        {
            "tag": "MetaQSAR",
            "uploader": "62"
        },
        {
            "tag": "study_13",
            "uploader": "62"
        }
    ],
    "features": [
        {
            "name": "pXC50",
            "index": "70",
            "type": "numeric",
            "distinct": "440",
            "missing": "0",
            "target": "1",
            "min": "4",
            "max": "11",
            "mean": "7",
            "stdev": "1"
        },
        {
            "name": "molecule_id",
            "index": "0",
            "type": "nominal",
            "distinct": "613",
            "missing": "0",
            "identifier": "1",
            "distr": []
        },
        {
            "name": "N.068",
            "index": "1",
            "type": "numeric",
            "distinct": "4",
            "missing": "0",
            "min": "0",
            "max": "3",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "nRNR2",
            "index": "2",
            "type": "numeric",
            "distinct": "4",
            "missing": "0",
            "min": "0",
            "max": "3",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "D.Dtr09",
            "index": "3",
            "type": "numeric",
            "distinct": "170",
            "missing": "0",
            "min": "0",
            "max": "638",
            "mean": "54",
            "stdev": "92"
        },
        {
            "name": "SsssN",
            "index": "4",
            "type": "numeric",
            "distinct": "296",
            "missing": "0",
            "min": "0",
            "max": "10",
            "mean": "2",
            "stdev": "2"
        },
        {
            "name": "nR09",
            "index": "5",
            "type": "numeric",
            "distinct": "6",
            "missing": "0",
            "min": "0",
            "max": "5",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "piID",
            "index": "6",
            "type": "numeric",
            "distinct": "433",
            "missing": "0",
            "min": "5",
            "max": "16",
            "mean": "10",
            "stdev": "2"
        },
        {
            "name": "SdsCH",
            "index": "7",
            "type": "numeric",
            "distinct": "107",
            "missing": "0",
            "min": "0",
            "max": "9",
            "mean": "1",
            "stdev": "2"
        },
        {
            "name": "NsssN",
            "index": "8",
            "type": "numeric",
            "distinct": "5",
            "missing": "0",
            "min": "0",
            "max": "4",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "O.060",
            "index": "9",
            "type": "numeric",
            "distinct": "6",
            "missing": "0",
            "min": "0",
            "max": "5",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "C.016",
            "index": "10",
            "type": "numeric",
            "distinct": "6",
            "missing": "0",
            "min": "0",
            "max": "5",
            "mean": "0",
            "stdev": "1"
        },
        {
            "name": "SssO",
            "index": "11",
            "type": "numeric",
            "distinct": "302",
            "missing": "0",
            "min": "0",
            "max": "78",
            "mean": "7",
            "stdev": "8"
        },
        {
            "name": "nArCNO",
            "index": "12",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "NNRS",
            "index": "13",
            "type": "numeric",
            "distinct": "16",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "NssO",
            "index": "14",
            "type": "numeric",
            "distinct": "8",
            "missing": "0",
            "min": "0",
            "max": "12",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "NdsCH",
            "index": "15",
            "type": "numeric",
            "distinct": "6",
            "missing": "0",
            "min": "0",
            "max": "5",
            "mean": "0",
            "stdev": "1"
        },
        {
            "name": "CATS2D_04_AA",
            "index": "16",
            "type": "numeric",
            "distinct": "7",
            "missing": "0",
            "min": "0",
            "max": "6",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "IDDE",
            "index": "17",
            "type": "numeric",
            "distinct": "275",
            "missing": "0",
            "min": "3",
            "max": "6",
            "mean": "4",
            "stdev": "1"
        },
        {
            "name": "D.Dtr10",
            "index": "18",
            "type": "numeric",
            "distinct": "215",
            "missing": "0",
            "min": "0",
            "max": "618",
            "mean": "75",
            "stdev": "95"
        },
        {
            "name": "SaasC",
            "index": "19",
            "type": "numeric",
            "distinct": "519",
            "missing": "0",
            "min": "-5",
            "max": "10",
            "mean": "3",
            "stdev": "2"
        },
        {
            "name": "IC5",
            "index": "20",
            "type": "numeric",
            "distinct": "369",
            "missing": "0",
            "min": "3",
            "max": "7",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "C.039",
            "index": "21",
            "type": "numeric",
            "distinct": "3",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "Eig08_AEA.bo.",
            "index": "22",
            "type": "numeric",
            "distinct": "361",
            "missing": "0",
            "min": "0",
            "max": "4",
            "mean": "3",
            "stdev": "1"
        },
        {
            "name": "Eig09_AEA.bo.",
            "index": "23",
            "type": "numeric",
            "distinct": "350",
            "missing": "0",
            "min": "0",
            "max": "4",
            "mean": "2",
            "stdev": "1"
        },
        {
            "name": "SM02_EA.ed.",
            "index": "24",
            "type": "numeric",
            "distinct": "311",
            "missing": "0",
            "min": "5",
            "max": "8",
            "mean": "7",
            "stdev": "0"
        },
        {
            "name": "SM02_AEA.bo.",
            "index": "25",
            "type": "numeric",
            "distinct": "266",
            "missing": "0",
            "min": "4",
            "max": "6",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "Wap",
            "index": "26",
            "type": "numeric",
            "distinct": "412",
            "missing": "0",
            "min": "496",
            "max": "3769680",
            "mean": "49858",
            "stdev": "167938"
        },
        {
            "name": "TPC",
            "index": "27",
            "type": "numeric",
            "distinct": "357",
            "missing": "0",
            "min": "5",
            "max": "12",
            "mean": "7",
            "stdev": "1"
        },
        {
            "name": "H.047",
            "index": "28",
            "type": "numeric",
            "distinct": "34",
            "missing": "0",
            "min": "0",
            "max": "34",
            "mean": "16",
            "stdev": "8"
        },
        {
            "name": "Eig10_AEA.dm.",
            "index": "29",
            "type": "numeric",
            "distinct": "411",
            "missing": "0",
            "min": "-2",
            "max": "3",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "SpAD_EA.bo.",
            "index": "30",
            "type": "numeric",
            "distinct": "477",
            "missing": "0",
            "min": "18",
            "max": "113",
            "mean": "55",
            "stdev": "19"
        },
        {
            "name": "piPC01",
            "index": "31",
            "type": "numeric",
            "distinct": "93",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "SCBO",
            "index": "32",
            "type": "numeric",
            "distinct": "93",
            "missing": "0",
            "min": "12",
            "max": "74",
            "mean": "37",
            "stdev": "13"
        },
        {
            "name": "Chi1_AEA.bo.",
            "index": "33",
            "type": "numeric",
            "distinct": "409",
            "missing": "0",
            "min": "6",
            "max": "34",
            "mean": "15",
            "stdev": "5"
        },
        {
            "name": "Chi1_AEA.dm.",
            "index": "34",
            "type": "numeric",
            "distinct": "409",
            "missing": "0",
            "min": "6",
            "max": "34",
            "mean": "15",
            "stdev": "5"
        },
        {
            "name": "Chi1_AEA.ed.",
            "index": "35",
            "type": "numeric",
            "distinct": "409",
            "missing": "0",
            "min": "6",
            "max": "34",
            "mean": "15",
            "stdev": "5"
        },
        {
            "name": "Chi1_AEA.ri.",
            "index": "36",
            "type": "numeric",
            "distinct": "409",
            "missing": "0",
            "min": "6",
            "max": "34",
            "mean": "15",
            "stdev": "5"
        },
        {
            "name": "Chi1_EA",
            "index": "37",
            "type": "numeric",
            "distinct": "409",
            "missing": "0",
            "min": "6",
            "max": "34",
            "mean": "15",
            "stdev": "5"
        },
        {
            "name": "Eig10_EA.ri.",
            "index": "38",
            "type": "numeric",
            "distinct": "395",
            "missing": "0",
            "min": "-2",
            "max": "2",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "SpMax4_Bh.p.",
            "index": "39",
            "type": "numeric",
            "distinct": "354",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "TIC1",
            "index": "40",
            "type": "numeric",
            "distinct": "481",
            "missing": "0",
            "min": "45",
            "max": "425",
            "mean": "171",
            "stdev": "66"
        },
        {
            "name": "Eig09_EA.bo.",
            "index": "41",
            "type": "numeric",
            "distinct": "369",
            "missing": "0",
            "min": "-2",
            "max": "3",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "Eig07_AEA.bo.",
            "index": "42",
            "type": "numeric",
            "distinct": "351",
            "missing": "0",
            "min": "0",
            "max": "4",
            "mean": "3",
            "stdev": "1"
        },
        {
            "name": "nR10",
            "index": "43",
            "type": "numeric",
            "distinct": "6",
            "missing": "0",
            "min": "0",
            "max": "6",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "SpMin3_Bh.p.",
            "index": "44",
            "type": "numeric",
            "distinct": "268",
            "missing": "0",
            "min": "1",
            "max": "2",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "CATS2D_03_AA",
            "index": "45",
            "type": "numeric",
            "distinct": "7",
            "missing": "0",
            "min": "0",
            "max": "8",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "nCIC",
            "index": "46",
            "type": "numeric",
            "distinct": "9",
            "missing": "0",
            "min": "1",
            "max": "10",
            "mean": "4",
            "stdev": "1"
        },
        {
            "name": "TRS",
            "index": "47",
            "type": "numeric",
            "distinct": "32",
            "missing": "0",
            "min": "6",
            "max": "58",
            "mean": "23",
            "stdev": "8"
        },
        {
            "name": "MPC01",
            "index": "48",
            "type": "numeric",
            "distinct": "47",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "MWC01",
            "index": "49",
            "type": "numeric",
            "distinct": "47",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "nBO",
            "index": "50",
            "type": "numeric",
            "distinct": "47",
            "missing": "0",
            "min": "12",
            "max": "70",
            "mean": "29",
            "stdev": "10"
        },
        {
            "name": "SRW02",
            "index": "51",
            "type": "numeric",
            "distinct": "47",
            "missing": "0",
            "min": "3",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "SpAD_AEA.bo.",
            "index": "52",
            "type": "numeric",
            "distinct": "473",
            "missing": "0",
            "min": "17",
            "max": "109",
            "mean": "44",
            "stdev": "16"
        },
        {
            "name": "Eig15_AEA.bo.",
            "index": "53",
            "type": "numeric",
            "distinct": "315",
            "missing": "0",
            "min": "-1",
            "max": "3",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "IC4",
            "index": "54",
            "type": "numeric",
            "distinct": "371",
            "missing": "0",
            "min": "3",
            "max": "6",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "Chi1_EA.ri.",
            "index": "55",
            "type": "numeric",
            "distinct": "531",
            "missing": "0",
            "min": "6",
            "max": "36",
            "mean": "15",
            "stdev": "5"
        },
        {
            "name": "RDSQ",
            "index": "56",
            "type": "numeric",
            "distinct": "446",
            "missing": "0",
            "min": "60",
            "max": "838",
            "mean": "236",
            "stdev": "118"
        },
        {
            "name": "SpMax4_Bh.v.",
            "index": "57",
            "type": "numeric",
            "distinct": "349",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "SRW07",
            "index": "58",
            "type": "numeric",
            "distinct": "34",
            "missing": "0",
            "min": "0",
            "max": "7",
            "mean": "4",
            "stdev": "2"
        },
        {
            "name": "SMTI",
            "index": "59",
            "type": "numeric",
            "distinct": "439",
            "missing": "0",
            "min": "631",
            "max": "81783",
            "mean": "10966",
            "stdev": "10826"
        },
        {
            "name": "Eta_betaS",
            "index": "60",
            "type": "numeric",
            "distinct": "100",
            "missing": "0",
            "min": "6",
            "max": "42",
            "mean": "17",
            "stdev": "6"
        },
        {
            "name": "AMR",
            "index": "61",
            "type": "numeric",
            "distinct": "511",
            "missing": "0",
            "min": "40",
            "max": "230",
            "mean": "105",
            "stdev": "35"
        },
        {
            "name": "UNIP",
            "index": "62",
            "type": "numeric",
            "distinct": "197",
            "missing": "0",
            "min": "18",
            "max": "430",
            "mean": "112",
            "stdev": "73"
        },
        {
            "name": "GMTI",
            "index": "63",
            "type": "numeric",
            "distinct": "439",
            "missing": "0",
            "min": "558",
            "max": "85685",
            "mean": "11658",
            "stdev": "11602"
        },
        {
            "name": "IDDM",
            "index": "64",
            "type": "numeric",
            "distinct": "263",
            "missing": "0",
            "min": "3",
            "max": "6",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "BIC0",
            "index": "65",
            "type": "numeric",
            "distinct": "142",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "SIC0",
            "index": "66",
            "type": "numeric",
            "distinct": "152",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "nArOR",
            "index": "67",
            "type": "numeric",
            "distinct": "6",
            "missing": "0",
            "min": "0",
            "max": "5",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "X2sol",
            "index": "68",
            "type": "numeric",
            "distinct": "440",
            "missing": "0",
            "min": "4",
            "max": "30",
            "mean": "12",
            "stdev": "4"
        },
        {
            "name": "HVcpx",
            "index": "69",
            "type": "numeric",
            "distinct": "374",
            "missing": "0",
            "min": "2",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        }
    ],
    "nr_of_issues": 0,
    "nr_of_downvotes": 0,
    "nr_of_likes": 0,
    "nr_of_downloads": 0,
    "total_downloads": 0,
    "reach": 0,
    "reuse": 11,
    "impact_of_reuse": 0,
    "reach_of_reuse": 0,
    "impact": 11
}