{
    "data_id": "30656",
    "name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL4726",
    "exact_name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL4726",
    "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: CHEMBL4726 (TID: 20018), and it has 13 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 05:33:16",
    "update_comment": null,
    "last_update": "2016-07-15 05:33:16",
    "licence": "Public",
    "status": "deactivated",
    "error_message": null,
    "url": "https:\/\/www.openml.org\/data\/download\/3425348\/data_35578.arff",
    "default_target_attribute": "pXC50",
    "row_id_attribute": "molecule_id",
    "ignore_attribute": null,
    "runs": 1,
    "suggest": {
        "input": [
            "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL4726",
            "This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL4726 (TID: 20018), and it has 13 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": 13,
        "NumberOfFeatures": 45,
        "NumberOfClasses": 0,
        "NumberOfMissingValues": 0,
        "NumberOfInstancesWithMissingValues": 0,
        "NumberOfNumericFeatures": 44,
        "NumberOfSymbolicFeatures": 1,
        "ClassEntropy": null,
        "MeanNoiseToSignalRatio": null,
        "Quartile2AttributeEntropy": null,
        "Dimensionality": 3.4615384615384617,
        "MeanNominalAttDistinctValues": null,
        "Quartile2KurtosisOfNumericAtts": -0.2741924095995216,
        "EquivalentNumberOfAtts": null,
        "MeanSkewnessOfNumericAtts": -0.4853276985744878,
        "Quartile2MeansOfNumericAtts": 8.684615384615384,
        "MajorityClassPercentage": null,
        "MeanStdDevOfNumericAtts": 8.170544673480816,
        "Quartile2MutualInformation": null,
        "MajorityClassSize": null,
        "MinAttributeEntropy": null,
        "Quartile2SkewnessOfNumericAtts": -0.6417328871941178,
        "MaxAttributeEntropy": null,
        "MinKurtosisOfNumericAtts": -2.056363636363638,
        "PercentageOfBinaryFeatures": 0,
        "Quartile2StdDevOfNumericAtts": 1.198829942207464,
        "MaxKurtosisOfNumericAtts": 2.8623596752386775,
        "MinMeansOfNumericAtts": 0,
        "PercentageOfInstancesWithMissingValues": 0,
        "Quartile3AttributeEntropy": null,
        "MaxMeansOfNumericAtts": 860.2984615384615,
        "MinMutualInformation": null,
        "PercentageOfMissingValues": 0,
        "Quartile3KurtosisOfNumericAtts": 0.06514583077978686,
        "MaxMutualInformation": null,
        "MinNominalAttDistinctValues": null,
        "PercentageOfNumericFeatures": 97.77777777777777,
        "Quartile3MeansOfNumericAtts": 54.338461538461544,
        "MaxNominalAttDistinctValues": null,
        "MinSkewnessOfNumericAtts": -1.278714108533646,
        "PercentageOfSymbolicFeatures": 2.2222222222222223,
        "Quartile3MutualInformation": null,
        "MaxSkewnessOfNumericAtts": 0.712355880417036,
        "MinStdDevOfNumericAtts": 0,
        "Quartile1AttributeEntropy": null,
        "Quartile3SkewnessOfNumericAtts": 0.08174411476547999,
        "MaxStdDevOfNumericAtts": 151.83286550492252,
        "MinorityClassPercentage": null,
        "Quartile1KurtosisOfNumericAtts": -0.6387723364323132,
        "Quartile3StdDevOfNumericAtts": 9.513570324155667,
        "MeanAttributeEntropy": null,
        "MinorityClassSize": null,
        "Quartile1MeansOfNumericAtts": 0.2619423076923077,
        "StdvNominalAttDistinctValues": null,
        "MeanKurtosisOfNumericAtts": -0.1851099762657012,
        "NumberOfBinaryFeatures": 0,
        "Quartile1MutualInformation": null,
        "MeanMeansOfNumericAtts": 46.101624125874125,
        "Quartile1SkewnessOfNumericAtts": -1.0392379375914655,
        "AutoCorrelation": 0.040000000000000036,
        "MeanMutualInformation": null,
        "Quartile1StdDevOfNumericAtts": 0.004612507400654945
    },
    "tags": [
        {
            "tag": "MetaQSAR",
            "uploader": "62"
        },
        {
            "tag": "study_13",
            "uploader": "62"
        }
    ],
    "features": [
        {
            "name": "pXC50",
            "index": "44",
            "type": "numeric",
            "distinct": "13",
            "missing": "0",
            "target": "1",
            "min": "5",
            "max": "8",
            "mean": "7",
            "stdev": "1"
        },
        {
            "name": "molecule_id",
            "index": "0",
            "type": "nominal",
            "distinct": "13",
            "missing": "0",
            "identifier": "1",
            "distr": []
        },
        {
            "name": "AMW",
            "index": "1",
            "type": "numeric",
            "distinct": "12",
            "missing": "0",
            "min": "7",
            "max": "8",
            "mean": "7",
            "stdev": "0"
        },
        {
            "name": "C.",
            "index": "2",
            "type": "numeric",
            "distinct": "9",
            "missing": "0",
            "min": "31",
            "max": "37",
            "mean": "34",
            "stdev": "1"
        },
        {
            "name": "H.",
            "index": "3",
            "type": "numeric",
            "distinct": "10",
            "missing": "0",
            "min": "47",
            "max": "51",
            "mean": "49",
            "stdev": "1"
        },
        {
            "name": "Me",
            "index": "4",
            "type": "numeric",
            "distinct": "9",
            "missing": "0",
            "min": "1",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "Mi",
            "index": "5",
            "type": "numeric",
            "distinct": "9",
            "missing": "0",
            "min": "1",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "Mp",
            "index": "6",
            "type": "numeric",
            "distinct": "11",
            "missing": "0",
            "min": "1",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "Mv",
            "index": "7",
            "type": "numeric",
            "distinct": "10",
            "missing": "0",
            "min": "1",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "MW",
            "index": "8",
            "type": "numeric",
            "distinct": "12",
            "missing": "0",
            "min": "580",
            "max": "1027",
            "mean": "860",
            "stdev": "152"
        },
        {
            "name": "N.",
            "index": "9",
            "type": "numeric",
            "distinct": "9",
            "missing": "0",
            "min": "5",
            "max": "8",
            "mean": "6",
            "stdev": "1"
        },
        {
            "name": "nAB",
            "index": "10",
            "type": "numeric",
            "distinct": "3",
            "missing": "0",
            "min": "6",
            "max": "18",
            "mean": "11",
            "stdev": "5"
        },
        {
            "name": "nAT",
            "index": "11",
            "type": "numeric",
            "distinct": "10",
            "missing": "0",
            "min": "77",
            "max": "137",
            "mean": "116",
            "stdev": "21"
        },
        {
            "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": "8",
            "missing": "0",
            "min": "12",
            "max": "27",
            "mean": "19",
            "stdev": "5"
        },
        {
            "name": "nBO",
            "index": "14",
            "type": "numeric",
            "distinct": "10",
            "missing": "0",
            "min": "41",
            "max": "74",
            "mean": "61",
            "stdev": "11"
        },
        {
            "name": "nBR",
            "index": "15",
            "type": "numeric",
            "distinct": "1",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "nBT",
            "index": "16",
            "type": "numeric",
            "distinct": "11",
            "missing": "0",
            "min": "78",
            "max": "140",
            "mean": "117",
            "stdev": "21"
        },
        {
            "name": "nC",
            "index": "17",
            "type": "numeric",
            "distinct": "10",
            "missing": "0",
            "min": "26",
            "max": "50",
            "mean": "40",
            "stdev": "8"
        },
        {
            "name": "nCL",
            "index": "18",
            "type": "numeric",
            "distinct": "1",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "nCsp",
            "index": "19",
            "type": "numeric",
            "distinct": "1",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "nCsp2",
            "index": "20",
            "type": "numeric",
            "distinct": "8",
            "missing": "0",
            "min": "12",
            "max": "27",
            "mean": "19",
            "stdev": "5"
        },
        {
            "name": "nCsp3",
            "index": "21",
            "type": "numeric",
            "distinct": "6",
            "missing": "0",
            "min": "14",
            "max": "24",
            "mean": "21",
            "stdev": "3"
        },
        {
            "name": "nDB",
            "index": "22",
            "type": "numeric",
            "distinct": "5",
            "missing": "0",
            "min": "6",
            "max": "10",
            "mean": "8",
            "stdev": "1"
        },
        {
            "name": "nF",
            "index": "23",
            "type": "numeric",
            "distinct": "1",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "nH",
            "index": "24",
            "type": "numeric",
            "distinct": "8",
            "missing": "0",
            "min": "37",
            "max": "67",
            "mean": "56",
            "stdev": "10"
        },
        {
            "name": "nHet",
            "index": "25",
            "type": "numeric",
            "distinct": "8",
            "missing": "0",
            "min": "13",
            "max": "24",
            "mean": "20",
            "stdev": "3"
        },
        {
            "name": "nHM",
            "index": "26",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "1",
            "max": "2",
            "mean": "2",
            "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": "4",
            "missing": "0",
            "min": "5",
            "max": "10",
            "mean": "7",
            "stdev": "1"
        },
        {
            "name": "nO",
            "index": "29",
            "type": "numeric",
            "distinct": "5",
            "missing": "0",
            "min": "6",
            "max": "13",
            "mean": "11",
            "stdev": "2"
        },
        {
            "name": "nP",
            "index": "30",
            "type": "numeric",
            "distinct": "1",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "nS",
            "index": "31",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "1",
            "max": "2",
            "mean": "2",
            "stdev": "1"
        },
        {
            "name": "nSK",
            "index": "32",
            "type": "numeric",
            "distinct": "9",
            "missing": "0",
            "min": "40",
            "max": "71",
            "mean": "59",
            "stdev": "11"
        },
        {
            "name": "nTB",
            "index": "33",
            "type": "numeric",
            "distinct": "1",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "nX",
            "index": "34",
            "type": "numeric",
            "distinct": "1",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "O.",
            "index": "35",
            "type": "numeric",
            "distinct": "12",
            "missing": "0",
            "min": "7",
            "max": "11",
            "mean": "9",
            "stdev": "1"
        },
        {
            "name": "RBF",
            "index": "36",
            "type": "numeric",
            "distinct": "12",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "RBN",
            "index": "37",
            "type": "numeric",
            "distinct": "10",
            "missing": "0",
            "min": "7",
            "max": "29",
            "mean": "18",
            "stdev": "7"
        },
        {
            "name": "SCBO",
            "index": "38",
            "type": "numeric",
            "distinct": "10",
            "missing": "0",
            "min": "50",
            "max": "92",
            "mean": "75",
            "stdev": "14"
        },
        {
            "name": "Se",
            "index": "39",
            "type": "numeric",
            "distinct": "12",
            "missing": "0",
            "min": "78",
            "max": "139",
            "mean": "117",
            "stdev": "21"
        },
        {
            "name": "Si",
            "index": "40",
            "type": "numeric",
            "distinct": "12",
            "missing": "0",
            "min": "88",
            "max": "156",
            "mean": "132",
            "stdev": "24"
        },
        {
            "name": "Sp",
            "index": "41",
            "type": "numeric",
            "distinct": "12",
            "missing": "0",
            "min": "48",
            "max": "88",
            "mean": "73",
            "stdev": "13"
        },
        {
            "name": "Sv",
            "index": "42",
            "type": "numeric",
            "distinct": "12",
            "missing": "0",
            "min": "46",
            "max": "83",
            "mean": "70",
            "stdev": "13"
        },
        {
            "name": "X.",
            "index": "43",
            "type": "numeric",
            "distinct": "1",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "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
}