{
    "data_id": "38406",
    "name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL3348",
    "exact_name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL3348",
    "version": 11,
    "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: CHEMBL3348 (TID: 20088), and it has 60 rows and 59 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": "2016-07-16 04:04:41",
    "update_comment": null,
    "last_update": "2016-07-16 04:04:41",
    "licence": "Public",
    "status": "deactivated",
    "error_message": null,
    "url": "https:\/\/www.openml.org\/data\/download\/3639571\/data_51945.arff",
    "default_target_attribute": "pXC50",
    "row_id_attribute": "molecule_id",
    "ignore_attribute": null,
    "runs": 2,
    "suggest": {
        "input": [
            "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL3348",
            "This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL3348 (TID: 20088), and it has 60 rows and 59 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": 60,
        "NumberOfFeatures": 61,
        "NumberOfClasses": 0,
        "NumberOfMissingValues": 0,
        "NumberOfInstancesWithMissingValues": 0,
        "NumberOfNumericFeatures": 60,
        "NumberOfSymbolicFeatures": 1,
        "Quartile2KurtosisOfNumericAtts": -0.1033095583662822,
        "Dimensionality": 1.0166666666666666,
        "MeanNominalAttDistinctValues": null,
        "Quartile2MeansOfNumericAtts": 3.971941666666667,
        "EquivalentNumberOfAtts": null,
        "MeanSkewnessOfNumericAtts": -0.5644511969655163,
        "Quartile2MutualInformation": null,
        "MajorityClassPercentage": null,
        "MeanStdDevOfNumericAtts": 0.9105203188744605,
        "Quartile2SkewnessOfNumericAtts": -0.6693276110244265,
        "MajorityClassSize": null,
        "MinAttributeEntropy": null,
        "PercentageOfBinaryFeatures": 0,
        "Quartile2StdDevOfNumericAtts": 0.32258399632630064,
        "MaxAttributeEntropy": null,
        "MinKurtosisOfNumericAtts": -1.1721779611028367,
        "MinMeansOfNumericAtts": 0.033049999999999996,
        "PercentageOfInstancesWithMissingValues": 0,
        "Quartile3AttributeEntropy": null,
        "MaxKurtosisOfNumericAtts": 10.559077350569208,
        "MinMutualInformation": null,
        "PercentageOfMissingValues": 0,
        "Quartile3KurtosisOfNumericAtts": 0.19315964103695216,
        "MaxMeansOfNumericAtts": 101.91086666666666,
        "MinNominalAttDistinctValues": null,
        "PercentageOfNumericFeatures": 98.36065573770492,
        "Quartile3MeansOfNumericAtts": 4.940354166666667,
        "MaxMutualInformation": null,
        "MinSkewnessOfNumericAtts": -1.184258361072706,
        "PercentageOfSymbolicFeatures": 1.639344262295082,
        "Quartile3MutualInformation": null,
        "MaxNominalAttDistinctValues": null,
        "MinStdDevOfNumericAtts": 0.011908976816400279,
        "Quartile1AttributeEntropy": null,
        "Quartile3SkewnessOfNumericAtts": -0.38579017351185496,
        "MaxSkewnessOfNumericAtts": 2.945184474778478,
        "MinorityClassPercentage": null,
        "Quartile1KurtosisOfNumericAtts": -0.5176451181547606,
        "Quartile3StdDevOfNumericAtts": 0.4473383853303874,
        "MaxStdDevOfNumericAtts": 22.188683924940296,
        "MinorityClassSize": null,
        "Quartile1MeansOfNumericAtts": 3.7523166666666667,
        "StdvNominalAttDistinctValues": null,
        "MeanAttributeEntropy": null,
        "NumberOfBinaryFeatures": 0,
        "Quartile1MutualInformation": null,
        "MeanKurtosisOfNumericAtts": 0.06968660274935731,
        "Quartile1SkewnessOfNumericAtts": -1.0176222985195793,
        "MeanMeansOfNumericAtts": 6.055572222222222,
        "Quartile1StdDevOfNumericAtts": 0.24904430414119427,
        "AutoCorrelation": 0.3824745762711866,
        "MeanMutualInformation": null,
        "Quartile2AttributeEntropy": null,
        "ClassEntropy": null,
        "MeanNoiseToSignalRatio": null
    },
    "tags": [
        {
            "tag": "MetaQSAR",
            "uploader": "62"
        },
        {
            "tag": "study_13",
            "uploader": "62"
        }
    ],
    "features": [
        {
            "name": "pXC50",
            "index": "60",
            "type": "numeric",
            "distinct": "37",
            "missing": "0",
            "target": "1",
            "min": "4",
            "max": "6",
            "mean": "5",
            "stdev": "1"
        },
        {
            "name": "molecule_id",
            "index": "0",
            "type": "nominal",
            "distinct": "60",
            "missing": "0",
            "identifier": "1",
            "distr": []
        },
        {
            "name": "RBF",
            "index": "1",
            "type": "numeric",
            "distinct": "16",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "AAC",
            "index": "2",
            "type": "numeric",
            "distinct": "28",
            "missing": "0",
            "min": "1",
            "max": "2",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "AECC",
            "index": "3",
            "type": "numeric",
            "distinct": "19",
            "missing": "0",
            "min": "8",
            "max": "15",
            "mean": "11",
            "stdev": "2"
        },
        {
            "name": "ALOGP",
            "index": "4",
            "type": "numeric",
            "distinct": "44",
            "missing": "0",
            "min": "2",
            "max": "6",
            "mean": "4",
            "stdev": "1"
        },
        {
            "name": "ALOGP2",
            "index": "5",
            "type": "numeric",
            "distinct": "44",
            "missing": "0",
            "min": "3",
            "max": "42",
            "mean": "14",
            "stdev": "9"
        },
        {
            "name": "AMR",
            "index": "6",
            "type": "numeric",
            "distinct": "44",
            "missing": "0",
            "min": "63",
            "max": "149",
            "mean": "102",
            "stdev": "22"
        },
        {
            "name": "AMW",
            "index": "7",
            "type": "numeric",
            "distinct": "45",
            "missing": "0",
            "min": "7",
            "max": "11",
            "mean": "8",
            "stdev": "1"
        },
        {
            "name": "ARR",
            "index": "8",
            "type": "numeric",
            "distinct": "16",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "ATS1e",
            "index": "9",
            "type": "numeric",
            "distinct": "45",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS1i",
            "index": "10",
            "type": "numeric",
            "distinct": "44",
            "missing": "0",
            "min": "4",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS1m",
            "index": "11",
            "type": "numeric",
            "distinct": "45",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS1p",
            "index": "12",
            "type": "numeric",
            "distinct": "45",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "ATS1s",
            "index": "13",
            "type": "numeric",
            "distinct": "47",
            "missing": "0",
            "min": "5",
            "max": "5",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "ATS1v",
            "index": "14",
            "type": "numeric",
            "distinct": "42",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "ATS2e",
            "index": "15",
            "type": "numeric",
            "distinct": "44",
            "missing": "0",
            "min": "4",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS2i",
            "index": "16",
            "type": "numeric",
            "distinct": "44",
            "missing": "0",
            "min": "4",
            "max": "5",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "ATS2m",
            "index": "17",
            "type": "numeric",
            "distinct": "43",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS2p",
            "index": "18",
            "type": "numeric",
            "distinct": "44",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS2s",
            "index": "19",
            "type": "numeric",
            "distinct": "48",
            "missing": "0",
            "min": "5",
            "max": "6",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "ATS2v",
            "index": "20",
            "type": "numeric",
            "distinct": "44",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS3e",
            "index": "21",
            "type": "numeric",
            "distinct": "46",
            "missing": "0",
            "min": "4",
            "max": "5",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "ATS3i",
            "index": "22",
            "type": "numeric",
            "distinct": "43",
            "missing": "0",
            "min": "4",
            "max": "6",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "ATS3m",
            "index": "23",
            "type": "numeric",
            "distinct": "46",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS3p",
            "index": "24",
            "type": "numeric",
            "distinct": "45",
            "missing": "0",
            "min": "3",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS3s",
            "index": "25",
            "type": "numeric",
            "distinct": "47",
            "missing": "0",
            "min": "5",
            "max": "6",
            "mean": "6",
            "stdev": "0"
        },
        {
            "name": "ATS3v",
            "index": "26",
            "type": "numeric",
            "distinct": "47",
            "missing": "0",
            "min": "3",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS4e",
            "index": "27",
            "type": "numeric",
            "distinct": "47",
            "missing": "0",
            "min": "4",
            "max": "5",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "ATS4i",
            "index": "28",
            "type": "numeric",
            "distinct": "46",
            "missing": "0",
            "min": "4",
            "max": "6",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "ATS4m",
            "index": "29",
            "type": "numeric",
            "distinct": "47",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS4p",
            "index": "30",
            "type": "numeric",
            "distinct": "48",
            "missing": "0",
            "min": "3",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS4s",
            "index": "31",
            "type": "numeric",
            "distinct": "48",
            "missing": "0",
            "min": "5",
            "max": "6",
            "mean": "6",
            "stdev": "0"
        },
        {
            "name": "ATS4v",
            "index": "32",
            "type": "numeric",
            "distinct": "46",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS5e",
            "index": "33",
            "type": "numeric",
            "distinct": "48",
            "missing": "0",
            "min": "4",
            "max": "5",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "ATS5i",
            "index": "34",
            "type": "numeric",
            "distinct": "45",
            "missing": "0",
            "min": "4",
            "max": "6",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "ATS5m",
            "index": "35",
            "type": "numeric",
            "distinct": "48",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS5p",
            "index": "36",
            "type": "numeric",
            "distinct": "48",
            "missing": "0",
            "min": "3",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS5s",
            "index": "37",
            "type": "numeric",
            "distinct": "46",
            "missing": "0",
            "min": "5",
            "max": "6",
            "mean": "6",
            "stdev": "0"
        },
        {
            "name": "ATS5v",
            "index": "38",
            "type": "numeric",
            "distinct": "48",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS6e",
            "index": "39",
            "type": "numeric",
            "distinct": "45",
            "missing": "0",
            "min": "4",
            "max": "5",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "ATS6i",
            "index": "40",
            "type": "numeric",
            "distinct": "42",
            "missing": "0",
            "min": "4",
            "max": "6",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "ATS6m",
            "index": "41",
            "type": "numeric",
            "distinct": "47",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS6p",
            "index": "42",
            "type": "numeric",
            "distinct": "47",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS6s",
            "index": "43",
            "type": "numeric",
            "distinct": "46",
            "missing": "0",
            "min": "5",
            "max": "6",
            "mean": "6",
            "stdev": "0"
        },
        {
            "name": "ATS6v",
            "index": "44",
            "type": "numeric",
            "distinct": "47",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS7e",
            "index": "45",
            "type": "numeric",
            "distinct": "45",
            "missing": "0",
            "min": "4",
            "max": "5",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "ATS7i",
            "index": "46",
            "type": "numeric",
            "distinct": "45",
            "missing": "0",
            "min": "4",
            "max": "5",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "ATS7m",
            "index": "47",
            "type": "numeric",
            "distinct": "48",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS7p",
            "index": "48",
            "type": "numeric",
            "distinct": "49",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS7s",
            "index": "49",
            "type": "numeric",
            "distinct": "45",
            "missing": "0",
            "min": "5",
            "max": "6",
            "mean": "6",
            "stdev": "0"
        },
        {
            "name": "ATS7v",
            "index": "50",
            "type": "numeric",
            "distinct": "46",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS8e",
            "index": "51",
            "type": "numeric",
            "distinct": "46",
            "missing": "0",
            "min": "3",
            "max": "5",
            "mean": "4",
            "stdev": "1"
        },
        {
            "name": "ATS8i",
            "index": "52",
            "type": "numeric",
            "distinct": "47",
            "missing": "0",
            "min": "4",
            "max": "5",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "ATS8m",
            "index": "53",
            "type": "numeric",
            "distinct": "47",
            "missing": "0",
            "min": "2",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS8p",
            "index": "54",
            "type": "numeric",
            "distinct": "49",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS8s",
            "index": "55",
            "type": "numeric",
            "distinct": "47",
            "missing": "0",
            "min": "4",
            "max": "6",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "ATS8v",
            "index": "56",
            "type": "numeric",
            "distinct": "46",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATSC1e",
            "index": "57",
            "type": "numeric",
            "distinct": "36",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "ATSC1i",
            "index": "58",
            "type": "numeric",
            "distinct": "40",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "ATSC1m",
            "index": "59",
            "type": "numeric",
            "distinct": "45",
            "missing": "0",
            "min": "1",
            "max": "17",
            "mean": "9",
            "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
}