{
    "data_id": "35697",
    "name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL1293244",
    "exact_name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL1293244",
    "version": 10,
    "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: CHEMBL1293244 (TID: 103677), and it has 214 rows and 43 features (not including molecule IDs and class feature: molecule_id and pXC50). The features represent Basic Molecular Descriptors which were generated from SMILES strings.  Missing value imputation was applied to this dataset (By choosing the Median).",
    "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 18:44:59",
    "update_comment": null,
    "last_update": "2016-07-15 18:44:59",
    "licence": "Public",
    "status": "deactivated",
    "error_message": null,
    "url": "https:\/\/www.openml.org\/data\/download\/3565766\/data_33679.arff",
    "default_target_attribute": "pXC50",
    "row_id_attribute": "molecule_id",
    "ignore_attribute": null,
    "runs": 1,
    "suggest": {
        "input": [
            "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL1293244",
            "This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL1293244 (TID: 103677), and it has 214 rows and 43 features (not including molecule IDs and class feature: molecule_id and pXC50). The features represent Basic Molecular Descriptors which were generated from SMILES strings. Missing value imputation was applied to this dataset (By choosing the Median). "
        ],
        "weight": 5
    },
    "qualities": {
        "NumberOfInstances": 214,
        "NumberOfFeatures": 45,
        "NumberOfClasses": 0,
        "NumberOfMissingValues": 0,
        "NumberOfInstancesWithMissingValues": 0,
        "NumberOfNumericFeatures": 44,
        "NumberOfSymbolicFeatures": 1,
        "ClassEntropy": null,
        "MeanNoiseToSignalRatio": null,
        "Quartile2AttributeEntropy": null,
        "Dimensionality": 0.2102803738317757,
        "MeanNominalAttDistinctValues": null,
        "Quartile2KurtosisOfNumericAtts": 0.6821067658965603,
        "EquivalentNumberOfAtts": null,
        "MeanSkewnessOfNumericAtts": 1.377499646895306,
        "Quartile2MeansOfNumericAtts": 4.41488785046729,
        "MajorityClassPercentage": null,
        "MeanStdDevOfNumericAtts": 5.202750903572006,
        "Quartile2MutualInformation": null,
        "MajorityClassSize": null,
        "MinAttributeEntropy": null,
        "Quartile2SkewnessOfNumericAtts": 0.476043577106609,
        "MaxAttributeEntropy": null,
        "MinKurtosisOfNumericAtts": -0.6581845596558047,
        "PercentageOfBinaryFeatures": 0,
        "Quartile2StdDevOfNumericAtts": 2.0877479106177184,
        "MaxKurtosisOfNumericAtts": 80.16816784059962,
        "MinMeansOfNumericAtts": 0,
        "PercentageOfInstancesWithMissingValues": 0,
        "Quartile3AttributeEntropy": null,
        "MaxMeansOfNumericAtts": 344.9072429906542,
        "MinMutualInformation": null,
        "PercentageOfMissingValues": 0,
        "Quartile3KurtosisOfNumericAtts": 2.1608847422488227,
        "MaxMutualInformation": null,
        "MinNominalAttDistinctValues": null,
        "PercentageOfNumericFeatures": 97.77777777777777,
        "Quartile3MeansOfNumericAtts": 25.564252336448597,
        "MaxNominalAttDistinctValues": null,
        "MinSkewnessOfNumericAtts": -0.41338134414112054,
        "PercentageOfSymbolicFeatures": 2.2222222222222223,
        "Quartile3MutualInformation": null,
        "MaxSkewnessOfNumericAtts": 8.57798866577248,
        "MinStdDevOfNumericAtts": 0,
        "Quartile1AttributeEntropy": null,
        "Quartile3SkewnessOfNumericAtts": 0.9902035143150001,
        "MaxStdDevOfNumericAtts": 82.85124888412358,
        "MinorityClassPercentage": null,
        "Quartile1KurtosisOfNumericAtts": 0.23755452897511442,
        "Quartile3StdDevOfNumericAtts": 5.681399820361419,
        "MeanAttributeEntropy": null,
        "MinorityClassSize": null,
        "Quartile1MeansOfNumericAtts": 0.6743714953271028,
        "StdvNominalAttDistinctValues": null,
        "MeanKurtosisOfNumericAtts": 6.931577017081097,
        "NumberOfBinaryFeatures": 0,
        "Quartile1MutualInformation": null,
        "MeanMeansOfNumericAtts": 19.772746601529313,
        "Quartile1SkewnessOfNumericAtts": 0.19101574019776282,
        "AutoCorrelation": 0.7939530516431924,
        "MeanMutualInformation": null,
        "Quartile1StdDevOfNumericAtts": 0.272427382886477
    },
    "tags": [
        {
            "tag": "MetaQSAR",
            "uploader": "62"
        },
        {
            "tag": "study_13",
            "uploader": "62"
        }
    ],
    "features": [
        {
            "name": "pXC50",
            "index": "44",
            "type": "numeric",
            "distinct": "56",
            "missing": "0",
            "target": "1",
            "min": "4",
            "max": "7",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "molecule_id",
            "index": "0",
            "type": "nominal",
            "distinct": "214",
            "missing": "0",
            "identifier": "1",
            "distr": []
        },
        {
            "name": "AMW",
            "index": "1",
            "type": "numeric",
            "distinct": "194",
            "missing": "0",
            "min": "7",
            "max": "14",
            "mean": "9",
            "stdev": "1"
        },
        {
            "name": "C.",
            "index": "2",
            "type": "numeric",
            "distinct": "104",
            "missing": "0",
            "min": "22",
            "max": "55",
            "mean": "42",
            "stdev": "5"
        },
        {
            "name": "H.",
            "index": "3",
            "type": "numeric",
            "distinct": "106",
            "missing": "0",
            "min": "22",
            "max": "56",
            "mean": "41",
            "stdev": "5"
        },
        {
            "name": "Me",
            "index": "4",
            "type": "numeric",
            "distinct": "60",
            "missing": "0",
            "min": "1",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "Mi",
            "index": "5",
            "type": "numeric",
            "distinct": "53",
            "missing": "0",
            "min": "1",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "Mp",
            "index": "6",
            "type": "numeric",
            "distinct": "103",
            "missing": "0",
            "min": "1",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "Mv",
            "index": "7",
            "type": "numeric",
            "distinct": "108",
            "missing": "0",
            "min": "1",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "MW",
            "index": "8",
            "type": "numeric",
            "distinct": "201",
            "missing": "0",
            "min": "92",
            "max": "576",
            "mean": "345",
            "stdev": "83"
        },
        {
            "name": "N.",
            "index": "9",
            "type": "numeric",
            "distinct": "90",
            "missing": "0",
            "min": "0",
            "max": "19",
            "mean": "7",
            "stdev": "4"
        },
        {
            "name": "nAB",
            "index": "10",
            "type": "numeric",
            "distinct": "16",
            "missing": "0",
            "min": "0",
            "max": "34",
            "mean": "13",
            "stdev": "6"
        },
        {
            "name": "nAT",
            "index": "11",
            "type": "numeric",
            "distinct": "45",
            "missing": "0",
            "min": "9",
            "max": "72",
            "mean": "41",
            "stdev": "11"
        },
        {
            "name": "nB",
            "index": "12",
            "type": "numeric",
            "distinct": "1",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "nBM",
            "index": "13",
            "type": "numeric",
            "distinct": "27",
            "missing": "0",
            "min": "1",
            "max": "35",
            "mean": "15",
            "stdev": "5"
        },
        {
            "name": "nBO",
            "index": "14",
            "type": "numeric",
            "distinct": "35",
            "missing": "0",
            "min": "4",
            "max": "47",
            "mean": "26",
            "stdev": "7"
        },
        {
            "name": "nBR",
            "index": "15",
            "type": "numeric",
            "distinct": "3",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "nBT",
            "index": "16",
            "type": "numeric",
            "distinct": "49",
            "missing": "0",
            "min": "8",
            "max": "77",
            "mean": "43",
            "stdev": "11"
        },
        {
            "name": "nC",
            "index": "17",
            "type": "numeric",
            "distinct": "26",
            "missing": "0",
            "min": "2",
            "max": "34",
            "mean": "17",
            "stdev": "5"
        },
        {
            "name": "nCL",
            "index": "18",
            "type": "numeric",
            "distinct": "3",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "nCsp",
            "index": "19",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "nCsp2",
            "index": "20",
            "type": "numeric",
            "distinct": "25",
            "missing": "0",
            "min": "1",
            "max": "29",
            "mean": "13",
            "stdev": "5"
        },
        {
            "name": "nCsp3",
            "index": "21",
            "type": "numeric",
            "distinct": "15",
            "missing": "0",
            "min": "0",
            "max": "14",
            "mean": "4",
            "stdev": "3"
        },
        {
            "name": "nDB",
            "index": "22",
            "type": "numeric",
            "distinct": "9",
            "missing": "0",
            "min": "0",
            "max": "8",
            "mean": "2",
            "stdev": "1"
        },
        {
            "name": "nF",
            "index": "23",
            "type": "numeric",
            "distinct": "4",
            "missing": "0",
            "min": "0",
            "max": "3",
            "mean": "0",
            "stdev": "1"
        },
        {
            "name": "nH",
            "index": "24",
            "type": "numeric",
            "distinct": "27",
            "missing": "0",
            "min": "4",
            "max": "31",
            "mean": "17",
            "stdev": "5"
        },
        {
            "name": "nHet",
            "index": "25",
            "type": "numeric",
            "distinct": "11",
            "missing": "0",
            "min": "2",
            "max": "12",
            "mean": "7",
            "stdev": "2"
        },
        {
            "name": "nHM",
            "index": "26",
            "type": "numeric",
            "distinct": "5",
            "missing": "0",
            "min": "0",
            "max": "4",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "nI",
            "index": "27",
            "type": "numeric",
            "distinct": "1",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "nN",
            "index": "28",
            "type": "numeric",
            "distinct": "8",
            "missing": "0",
            "min": "0",
            "max": "8",
            "mean": "3",
            "stdev": "2"
        },
        {
            "name": "nO",
            "index": "29",
            "type": "numeric",
            "distinct": "9",
            "missing": "0",
            "min": "0",
            "max": "8",
            "mean": "3",
            "stdev": "2"
        },
        {
            "name": "nP",
            "index": "30",
            "type": "numeric",
            "distinct": "3",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "nS",
            "index": "31",
            "type": "numeric",
            "distinct": "4",
            "missing": "0",
            "min": "0",
            "max": "3",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "nSK",
            "index": "32",
            "type": "numeric",
            "distinct": "29",
            "missing": "0",
            "min": "5",
            "max": "42",
            "mean": "24",
            "stdev": "6"
        },
        {
            "name": "nTB",
            "index": "33",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "nX",
            "index": "34",
            "type": "numeric",
            "distinct": "4",
            "missing": "0",
            "min": "0",
            "max": "3",
            "mean": "0",
            "stdev": "1"
        },
        {
            "name": "O.",
            "index": "35",
            "type": "numeric",
            "distinct": "94",
            "missing": "0",
            "min": "0",
            "max": "23",
            "mean": "7",
            "stdev": "5"
        },
        {
            "name": "RBF",
            "index": "36",
            "type": "numeric",
            "distinct": "97",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "RBN",
            "index": "37",
            "type": "numeric",
            "distinct": "12",
            "missing": "0",
            "min": "0",
            "max": "11",
            "mean": "4",
            "stdev": "2"
        },
        {
            "name": "SCBO",
            "index": "38",
            "type": "numeric",
            "distinct": "68",
            "missing": "0",
            "min": "5",
            "max": "65",
            "mean": "35",
            "stdev": "9"
        },
        {
            "name": "Se",
            "index": "39",
            "type": "numeric",
            "distinct": "202",
            "missing": "0",
            "min": "9",
            "max": "72",
            "mean": "41",
            "stdev": "11"
        },
        {
            "name": "Si",
            "index": "40",
            "type": "numeric",
            "distinct": "203",
            "missing": "0",
            "min": "10",
            "max": "80",
            "mean": "45",
            "stdev": "12"
        },
        {
            "name": "Sp",
            "index": "41",
            "type": "numeric",
            "distinct": "201",
            "missing": "0",
            "min": "6",
            "max": "50",
            "mean": "28",
            "stdev": "7"
        },
        {
            "name": "Sv",
            "index": "42",
            "type": "numeric",
            "distinct": "204",
            "missing": "0",
            "min": "6",
            "max": "48",
            "mean": "27",
            "stdev": "7"
        },
        {
            "name": "X.",
            "index": "43",
            "type": "numeric",
            "distinct": "30",
            "missing": "0",
            "min": "0",
            "max": "12",
            "mean": "1",
            "stdev": "2"
        }
    ],
    "nr_of_issues": 0,
    "nr_of_downvotes": 0,
    "nr_of_likes": 0,
    "nr_of_downloads": 0,
    "total_downloads": 0,
    "reach": 0,
    "reuse": 0,
    "impact_of_reuse": 0,
    "reach_of_reuse": 0,
    "impact": 0
}