{
    "data_id": "40269",
    "name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL325",
    "exact_name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL325",
    "version": 12,
    "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: CHEMBL325 (TID: 12697), and it has 1891 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": "2016-07-16 10:52:27",
    "update_comment": null,
    "last_update": "2016-07-16 10:52:27",
    "licence": "Public",
    "status": "deactivated",
    "error_message": null,
    "url": "https:\/\/www.openml.org\/data\/download\/3692380\/data_34974.arff",
    "kaggle_url": null,
    "default_target_attribute": "pXC50",
    "row_id_attribute": "molecule_id",
    "ignore_attribute": null,
    "runs": 1,
    "suggest": {
        "input": [
            "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL325",
            "This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL325 (TID: 12697), and it has 1891 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": 1891,
        "NumberOfFeatures": 45,
        "NumberOfClasses": 0,
        "NumberOfMissingValues": 0,
        "NumberOfInstancesWithMissingValues": 0,
        "NumberOfNumericFeatures": 44,
        "NumberOfSymbolicFeatures": 1,
        "MaxSkewnessOfNumericAtts": 19.38552904749669,
        "MinStdDevOfNumericAtts": 0.014940345059716274,
        "Quartile1AttributeEntropy": null,
        "Quartile3SkewnessOfNumericAtts": 3.248264043854972,
        "MaxStdDevOfNumericAtts": 116.28413706260706,
        "MinorityClassPercentage": null,
        "Quartile1KurtosisOfNumericAtts": 2.267859614090982,
        "Quartile3StdDevOfNumericAtts": 7.898693477264687,
        "MeanAttributeEntropy": null,
        "MinorityClassSize": null,
        "Quartile1MeansOfNumericAtts": 0.5524854574299289,
        "StdvNominalAttDistinctValues": null,
        "MeanKurtosisOfNumericAtts": 32.412089357924714,
        "NumberOfBinaryFeatures": 0,
        "Quartile1MutualInformation": null,
        "MeanMeansOfNumericAtts": 23.966277498677947,
        "Quartile1SkewnessOfNumericAtts": 0.7366856822137485,
        "MeanMutualInformation": null,
        "Quartile1StdDevOfNumericAtts": 0.23088306919990959,
        "AutoCorrelation": 0.10449417989418044,
        "MeanNoiseToSignalRatio": null,
        "Quartile2AttributeEntropy": null,
        "ClassEntropy": null,
        "MeanNominalAttDistinctValues": null,
        "Quartile2KurtosisOfNumericAtts": 8.054740006922096,
        "Dimensionality": 0.023796932839767318,
        "MeanSkewnessOfNumericAtts": 3.2497365331399966,
        "Quartile2MeansOfNumericAtts": 6.298093072448438,
        "EquivalentNumberOfAtts": null,
        "MajorityClassPercentage": null,
        "MeanStdDevOfNumericAtts": 7.316747531700427,
        "Quartile2MutualInformation": null,
        "MajorityClassSize": null,
        "MinAttributeEntropy": null,
        "Quartile2SkewnessOfNumericAtts": 1.8597795060139664,
        "MaxAttributeEntropy": null,
        "MinKurtosisOfNumericAtts": -0.7994960242153843,
        "PercentageOfBinaryFeatures": 0,
        "Quartile2StdDevOfNumericAtts": 2.7301680437530473,
        "MaxKurtosisOfNumericAtts": 374.194499169953,
        "MinMeansOfNumericAtts": 0.002644103648863024,
        "PercentageOfInstancesWithMissingValues": 0,
        "Quartile3AttributeEntropy": null,
        "MaxMeansOfNumericAtts": 415.079555790587,
        "MinMutualInformation": null,
        "PercentageOfMissingValues": 0,
        "Quartile3KurtosisOfNumericAtts": 16.484864210315152,
        "MaxMutualInformation": null,
        "MinNominalAttDistinctValues": null,
        "PercentageOfNumericFeatures": 97.77777777777777,
        "Quartile3MeansOfNumericAtts": 30.9939185616076,
        "MaxNominalAttDistinctValues": null,
        "MinSkewnessOfNumericAtts": -0.9247423641251338,
        "PercentageOfSymbolicFeatures": 2.2222222222222223,
        "Quartile3MutualInformation": null
    },
    "tags": [
        {
            "tag": "MetaQSAR",
            "uploader": "62"
        },
        {
            "tag": "study_13",
            "uploader": "62"
        }
    ],
    "features": [
        {
            "name": "pXC50",
            "index": "44",
            "type": "numeric",
            "distinct": "732",
            "missing": "0",
            "target": "1",
            "min": "4",
            "max": "10",
            "mean": "6",
            "stdev": "1"
        },
        {
            "name": "molecule_id",
            "index": "0",
            "type": "nominal",
            "distinct": "1891",
            "missing": "0",
            "identifier": "1",
            "distr": []
        },
        {
            "name": "AMW",
            "index": "1",
            "type": "numeric",
            "distinct": "1103",
            "missing": "0",
            "min": "5",
            "max": "16",
            "mean": "8",
            "stdev": "1"
        },
        {
            "name": "C.",
            "index": "2",
            "type": "numeric",
            "distinct": "182",
            "missing": "0",
            "min": "25",
            "max": "53",
            "mean": "41",
            "stdev": "4"
        },
        {
            "name": "H.",
            "index": "3",
            "type": "numeric",
            "distinct": "248",
            "missing": "0",
            "min": "17",
            "max": "62",
            "mean": "44",
            "stdev": "6"
        },
        {
            "name": "Me",
            "index": "4",
            "type": "numeric",
            "distinct": "109",
            "missing": "0",
            "min": "1",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "Mi",
            "index": "5",
            "type": "numeric",
            "distinct": "80",
            "missing": "0",
            "min": "1",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "Mp",
            "index": "6",
            "type": "numeric",
            "distinct": "178",
            "missing": "0",
            "min": "1",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "Mv",
            "index": "7",
            "type": "numeric",
            "distinct": "202",
            "missing": "0",
            "min": "1",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "MW",
            "index": "8",
            "type": "numeric",
            "distinct": "1321",
            "missing": "0",
            "min": "88",
            "max": "1413",
            "mean": "415",
            "stdev": "116"
        },
        {
            "name": "N.",
            "index": "9",
            "type": "numeric",
            "distinct": "132",
            "missing": "0",
            "min": "0",
            "max": "21",
            "mean": "7",
            "stdev": "3"
        },
        {
            "name": "nAB",
            "index": "10",
            "type": "numeric",
            "distinct": "25",
            "missing": "0",
            "min": "0",
            "max": "35",
            "mean": "15",
            "stdev": "6"
        },
        {
            "name": "nAT",
            "index": "11",
            "type": "numeric",
            "distinct": "108",
            "missing": "0",
            "min": "13",
            "max": "199",
            "mean": "54",
            "stdev": "18"
        },
        {
            "name": "nB",
            "index": "12",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "nBM",
            "index": "13",
            "type": "numeric",
            "distinct": "37",
            "missing": "0",
            "min": "1",
            "max": "37",
            "mean": "17",
            "stdev": "6"
        },
        {
            "name": "nBO",
            "index": "14",
            "type": "numeric",
            "distinct": "66",
            "missing": "0",
            "min": "5",
            "max": "104",
            "mean": "32",
            "stdev": "9"
        },
        {
            "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": "109",
            "missing": "0",
            "min": "13",
            "max": "205",
            "mean": "56",
            "stdev": "19"
        },
        {
            "name": "nC",
            "index": "17",
            "type": "numeric",
            "distinct": "49",
            "missing": "0",
            "min": "4",
            "max": "69",
            "mean": "22",
            "stdev": "7"
        },
        {
            "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": "3",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "nCsp2",
            "index": "20",
            "type": "numeric",
            "distinct": "32",
            "missing": "0",
            "min": "1",
            "max": "35",
            "mean": "16",
            "stdev": "5"
        },
        {
            "name": "nCsp3",
            "index": "21",
            "type": "numeric",
            "distinct": "37",
            "missing": "0",
            "min": "0",
            "max": "46",
            "mean": "6",
            "stdev": "6"
        },
        {
            "name": "nDB",
            "index": "22",
            "type": "numeric",
            "distinct": "10",
            "missing": "0",
            "min": "0",
            "max": "13",
            "mean": "2",
            "stdev": "1"
        },
        {
            "name": "nF",
            "index": "23",
            "type": "numeric",
            "distinct": "8",
            "missing": "0",
            "min": "0",
            "max": "12",
            "mean": "0",
            "stdev": "1"
        },
        {
            "name": "nH",
            "index": "24",
            "type": "numeric",
            "distinct": "70",
            "missing": "0",
            "min": "5",
            "max": "101",
            "mean": "24",
            "stdev": "11"
        },
        {
            "name": "nHet",
            "index": "25",
            "type": "numeric",
            "distinct": "21",
            "missing": "0",
            "min": "2",
            "max": "29",
            "mean": "8",
            "stdev": "3"
        },
        {
            "name": "nHM",
            "index": "26",
            "type": "numeric",
            "distinct": "6",
            "missing": "0",
            "min": "0",
            "max": "5",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "nI",
            "index": "27",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "nN",
            "index": "28",
            "type": "numeric",
            "distinct": "13",
            "missing": "0",
            "min": "0",
            "max": "15",
            "mean": "4",
            "stdev": "2"
        },
        {
            "name": "nO",
            "index": "29",
            "type": "numeric",
            "distinct": "16",
            "missing": "0",
            "min": "0",
            "max": "15",
            "mean": "3",
            "stdev": "2"
        },
        {
            "name": "nP",
            "index": "30",
            "type": "numeric",
            "distinct": "2",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "nS",
            "index": "31",
            "type": "numeric",
            "distinct": "5",
            "missing": "0",
            "min": "0",
            "max": "4",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "nSK",
            "index": "32",
            "type": "numeric",
            "distinct": "61",
            "missing": "0",
            "min": "6",
            "max": "98",
            "mean": "29",
            "stdev": "8"
        },
        {
            "name": "nTB",
            "index": "33",
            "type": "numeric",
            "distinct": "3",
            "missing": "0",
            "min": "0",
            "max": "2",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "nX",
            "index": "34",
            "type": "numeric",
            "distinct": "9",
            "missing": "0",
            "min": "0",
            "max": "13",
            "mean": "0",
            "stdev": "1"
        },
        {
            "name": "O.",
            "index": "35",
            "type": "numeric",
            "distinct": "123",
            "missing": "0",
            "min": "0",
            "max": "19",
            "mean": "6",
            "stdev": "3"
        },
        {
            "name": "RBF",
            "index": "36",
            "type": "numeric",
            "distinct": "187",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "RBN",
            "index": "37",
            "type": "numeric",
            "distinct": "26",
            "missing": "0",
            "min": "0",
            "max": "41",
            "mean": "8",
            "stdev": "4"
        },
        {
            "name": "SCBO",
            "index": "38",
            "type": "numeric",
            "distinct": "126",
            "missing": "0",
            "min": "6",
            "max": "125",
            "mean": "41",
            "stdev": "11"
        },
        {
            "name": "Se",
            "index": "39",
            "type": "numeric",
            "distinct": "1317",
            "missing": "0",
            "min": "13",
            "max": "199",
            "mean": "54",
            "stdev": "18"
        },
        {
            "name": "Si",
            "index": "40",
            "type": "numeric",
            "distinct": "1349",
            "missing": "0",
            "min": "14",
            "max": "226",
            "mean": "61",
            "stdev": "21"
        },
        {
            "name": "Sp",
            "index": "41",
            "type": "numeric",
            "distinct": "1280",
            "missing": "0",
            "min": "8",
            "max": "127",
            "mean": "36",
            "stdev": "11"
        },
        {
            "name": "Sv",
            "index": "42",
            "type": "numeric",
            "distinct": "1336",
            "missing": "0",
            "min": "8",
            "max": "118",
            "mean": "34",
            "stdev": "10"
        },
        {
            "name": "X.",
            "index": "43",
            "type": "numeric",
            "distinct": "80",
            "missing": "0",
            "min": "0",
            "max": "33",
            "mean": "1",
            "stdev": "3"
        }
    ],
    "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
}