{
    "data_id": "33103",
    "name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL1293222",
    "exact_name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL1293222",
    "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: CHEMBL1293222 (TID: 103655), and it has 346 rows and 67 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": "2016-07-15 11:55:19",
    "update_comment": null,
    "last_update": "2016-07-15 11:55:19",
    "licence": "Public",
    "status": "deactivated",
    "error_message": null,
    "url": "https:\/\/www.openml.org\/data\/download\/3497093\/data_53246.arff",
    "kaggle_url": null,
    "default_target_attribute": "pXC50",
    "row_id_attribute": "molecule_id",
    "ignore_attribute": null,
    "runs": 2,
    "suggest": {
        "input": [
            "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL1293222",
            "This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL1293222 (TID: 103655), and it has 346 rows and 67 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": 346,
        "NumberOfFeatures": 69,
        "NumberOfClasses": 0,
        "NumberOfMissingValues": 0,
        "NumberOfInstancesWithMissingValues": 0,
        "NumberOfNumericFeatures": 68,
        "NumberOfSymbolicFeatures": 1,
        "MaxSkewnessOfNumericAtts": 3.3885026143227783,
        "MinStdDevOfNumericAtts": 0.0406795189721022,
        "Quartile1AttributeEntropy": null,
        "Quartile3SkewnessOfNumericAtts": 1.6493541062669266,
        "MaxStdDevOfNumericAtts": 16.15159497325922,
        "MinorityClassPercentage": null,
        "Quartile1KurtosisOfNumericAtts": 0.7431586254658562,
        "Quartile3StdDevOfNumericAtts": 3.4775411689742675,
        "MeanAttributeEntropy": null,
        "MinorityClassSize": null,
        "Quartile1MeansOfNumericAtts": 1.0480079479768787,
        "StdvNominalAttDistinctValues": null,
        "MeanKurtosisOfNumericAtts": 3.672517747292474,
        "NumberOfBinaryFeatures": 0,
        "Quartile1MutualInformation": null,
        "MeanMeansOfNumericAtts": 6.854029709282557,
        "Quartile1SkewnessOfNumericAtts": -0.5709520356919644,
        "MeanMutualInformation": null,
        "Quartile1StdDevOfNumericAtts": 0.19503202044882734,
        "AutoCorrelation": 0.36489275362318885,
        "MeanNoiseToSignalRatio": null,
        "Quartile2AttributeEntropy": null,
        "ClassEntropy": null,
        "MeanNominalAttDistinctValues": null,
        "Quartile2KurtosisOfNumericAtts": 1.8242316923536634,
        "Dimensionality": 0.1994219653179191,
        "MeanSkewnessOfNumericAtts": 0.5207135665963443,
        "Quartile2MeansOfNumericAtts": 3.9849002890173413,
        "EquivalentNumberOfAtts": null,
        "MajorityClassPercentage": null,
        "MeanStdDevOfNumericAtts": 2.0962923471437507,
        "Quartile2MutualInformation": null,
        "MajorityClassSize": null,
        "MinAttributeEntropy": null,
        "Quartile2SkewnessOfNumericAtts": 0.3736571513264506,
        "MaxAttributeEntropy": null,
        "MinKurtosisOfNumericAtts": -0.6004738037271529,
        "PercentageOfBinaryFeatures": 0,
        "Quartile2StdDevOfNumericAtts": 0.5674123987033249,
        "MaxKurtosisOfNumericAtts": 20.096123652523595,
        "MinMeansOfNumericAtts": 0.23088439306358383,
        "PercentageOfInstancesWithMissingValues": 0,
        "Quartile3AttributeEntropy": null,
        "MaxMeansOfNumericAtts": 53.65478612716763,
        "MinMutualInformation": null,
        "PercentageOfMissingValues": 0,
        "Quartile3KurtosisOfNumericAtts": 6.1003715849782,
        "MaxMutualInformation": null,
        "MinNominalAttDistinctValues": null,
        "PercentageOfNumericFeatures": 98.55072463768117,
        "Quartile3MeansOfNumericAtts": 6.407166184971098,
        "MaxNominalAttDistinctValues": null,
        "MinSkewnessOfNumericAtts": -3.4950497904888764,
        "PercentageOfSymbolicFeatures": 1.4492753623188406,
        "Quartile3MutualInformation": null
    },
    "tags": [
        {
            "tag": "MetaQSAR",
            "uploader": "62"
        },
        {
            "tag": "study_13",
            "uploader": "62"
        }
    ],
    "features": [
        {
            "name": "pXC50",
            "index": "68",
            "type": "numeric",
            "distinct": "198",
            "missing": "0",
            "target": "1",
            "min": "5",
            "max": "11",
            "mean": "5",
            "stdev": "1"
        },
        {
            "name": "molecule_id",
            "index": "0",
            "type": "nominal",
            "distinct": "346",
            "missing": "0",
            "identifier": "1",
            "distr": []
        },
        {
            "name": "SpMin4_Bh.s.",
            "index": "1",
            "type": "numeric",
            "distinct": "234",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "X1Per",
            "index": "2",
            "type": "numeric",
            "distinct": "312",
            "missing": "0",
            "min": "3",
            "max": "19",
            "mean": "7",
            "stdev": "2"
        },
        {
            "name": "ATSC2p",
            "index": "3",
            "type": "numeric",
            "distinct": "320",
            "missing": "0",
            "min": "3",
            "max": "22",
            "mean": "7",
            "stdev": "2"
        },
        {
            "name": "X1Kup",
            "index": "4",
            "type": "numeric",
            "distinct": "331",
            "missing": "0",
            "min": "4",
            "max": "22",
            "mean": "9",
            "stdev": "2"
        },
        {
            "name": "X1MulPer",
            "index": "5",
            "type": "numeric",
            "distinct": "311",
            "missing": "0",
            "min": "4",
            "max": "22",
            "mean": "8",
            "stdev": "2"
        },
        {
            "name": "ATS4i",
            "index": "6",
            "type": "numeric",
            "distinct": "296",
            "missing": "0",
            "min": "4",
            "max": "6",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "ATSC1m",
            "index": "7",
            "type": "numeric",
            "distinct": "314",
            "missing": "0",
            "min": "0",
            "max": "35",
            "mean": "9",
            "stdev": "5"
        },
        {
            "name": "SpMin5_Bh.p.",
            "index": "8",
            "type": "numeric",
            "distinct": "241",
            "missing": "0",
            "min": "1",
            "max": "2",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "SpMin6_Bh.p.",
            "index": "9",
            "type": "numeric",
            "distinct": "230",
            "missing": "0",
            "min": "1",
            "max": "2",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "SpMin6_Bh.s.",
            "index": "10",
            "type": "numeric",
            "distinct": "217",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "SpMin6_Bh.v.",
            "index": "11",
            "type": "numeric",
            "distinct": "221",
            "missing": "0",
            "min": "1",
            "max": "2",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "SssCH2",
            "index": "12",
            "type": "numeric",
            "distinct": "262",
            "missing": "0",
            "min": "0",
            "max": "37",
            "mean": "3",
            "stdev": "4"
        },
        {
            "name": "ATS2e",
            "index": "13",
            "type": "numeric",
            "distinct": "270",
            "missing": "0",
            "min": "4",
            "max": "6",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "Si",
            "index": "14",
            "type": "numeric",
            "distinct": "305",
            "missing": "0",
            "min": "25",
            "max": "159",
            "mean": "54",
            "stdev": "16"
        },
        {
            "name": "ATS1e",
            "index": "15",
            "type": "numeric",
            "distinct": "260",
            "missing": "0",
            "min": "3",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS1i",
            "index": "16",
            "type": "numeric",
            "distinct": "261",
            "missing": "0",
            "min": "3",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "ATS3e",
            "index": "17",
            "type": "numeric",
            "distinct": "281",
            "missing": "0",
            "min": "4",
            "max": "6",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "ATS3i",
            "index": "18",
            "type": "numeric",
            "distinct": "278",
            "missing": "0",
            "min": "4",
            "max": "6",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "ATSC3v",
            "index": "19",
            "type": "numeric",
            "distinct": "331",
            "missing": "0",
            "min": "2",
            "max": "42",
            "mean": "12",
            "stdev": "5"
        },
        {
            "name": "nBT",
            "index": "20",
            "type": "numeric",
            "distinct": "62",
            "missing": "0",
            "min": "23",
            "max": "138",
            "mean": "50",
            "stdev": "14"
        },
        {
            "name": "ATSC1p",
            "index": "21",
            "type": "numeric",
            "distinct": "302",
            "missing": "0",
            "min": "2",
            "max": "14",
            "mean": "4",
            "stdev": "1"
        },
        {
            "name": "SpMax6_Bh.v.",
            "index": "22",
            "type": "numeric",
            "distinct": "233",
            "missing": "0",
            "min": "2",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "ATS2i",
            "index": "23",
            "type": "numeric",
            "distinct": "275",
            "missing": "0",
            "min": "4",
            "max": "6",
            "mean": "5",
            "stdev": "0"
        },
        {
            "name": "SpMin4_Bh.m.",
            "index": "24",
            "type": "numeric",
            "distinct": "229",
            "missing": "0",
            "min": "1",
            "max": "2",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "MSD",
            "index": "25",
            "type": "numeric",
            "distinct": "291",
            "missing": "0",
            "min": "4",
            "max": "14",
            "mean": "7",
            "stdev": "2"
        },
        {
            "name": "ARR",
            "index": "26",
            "type": "numeric",
            "distinct": "100",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "ATSC1v",
            "index": "27",
            "type": "numeric",
            "distinct": "303",
            "missing": "0",
            "min": "1",
            "max": "20",
            "mean": "5",
            "stdev": "2"
        },
        {
            "name": "ATSC2v",
            "index": "28",
            "type": "numeric",
            "distinct": "318",
            "missing": "0",
            "min": "2",
            "max": "33",
            "mean": "9",
            "stdev": "4"
        },
        {
            "name": "C.",
            "index": "29",
            "type": "numeric",
            "distinct": "117",
            "missing": "0",
            "min": "30",
            "max": "54",
            "mean": "42",
            "stdev": "5"
        },
        {
            "name": "C.002",
            "index": "30",
            "type": "numeric",
            "distinct": "14",
            "missing": "0",
            "min": "0",
            "max": "33",
            "mean": "2",
            "stdev": "4"
        },
        {
            "name": "CIC0",
            "index": "31",
            "type": "numeric",
            "distinct": "274",
            "missing": "0",
            "min": "3",
            "max": "6",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "DBI",
            "index": "32",
            "type": "numeric",
            "distinct": "51",
            "missing": "0",
            "min": "2",
            "max": "8",
            "mean": "4",
            "stdev": "1"
        },
        {
            "name": "DLS_07",
            "index": "33",
            "type": "numeric",
            "distinct": "3",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "Eig01_EA.bo.",
            "index": "34",
            "type": "numeric",
            "distinct": "171",
            "missing": "0",
            "min": "3",
            "max": "5",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "Eta_beta_A",
            "index": "35",
            "type": "numeric",
            "distinct": "204",
            "missing": "0",
            "min": "1",
            "max": "2",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "Eta_betaP_A",
            "index": "36",
            "type": "numeric",
            "distinct": "172",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "Eta_C_A",
            "index": "37",
            "type": "numeric",
            "distinct": "262",
            "missing": "0",
            "min": "1",
            "max": "2",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "Eta_FL_A",
            "index": "38",
            "type": "numeric",
            "distinct": "131",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "Eta_L",
            "index": "39",
            "type": "numeric",
            "distinct": "328",
            "missing": "0",
            "min": "3",
            "max": "22",
            "mean": "6",
            "stdev": "2"
        },
        {
            "name": "Eta_L_A",
            "index": "40",
            "type": "numeric",
            "distinct": "134",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "GATS1m",
            "index": "41",
            "type": "numeric",
            "distinct": "215",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "GATS1p",
            "index": "42",
            "type": "numeric",
            "distinct": "251",
            "missing": "0",
            "min": "1",
            "max": "2",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "GATS1v",
            "index": "43",
            "type": "numeric",
            "distinct": "235",
            "missing": "0",
            "min": "1",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "GATS2i",
            "index": "44",
            "type": "numeric",
            "distinct": "221",
            "missing": "0",
            "min": "1",
            "max": "2",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "GATS2p",
            "index": "45",
            "type": "numeric",
            "distinct": "217",
            "missing": "0",
            "min": "1",
            "max": "2",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "GATS2v",
            "index": "46",
            "type": "numeric",
            "distinct": "211",
            "missing": "0",
            "min": "1",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "H.",
            "index": "47",
            "type": "numeric",
            "distinct": "148",
            "missing": "0",
            "min": "19",
            "max": "61",
            "mean": "42",
            "stdev": "7"
        },
        {
            "name": "H.046",
            "index": "48",
            "type": "numeric",
            "distinct": "20",
            "missing": "0",
            "min": "0",
            "max": "60",
            "mean": "4",
            "stdev": "7"
        },
        {
            "name": "LOC",
            "index": "49",
            "type": "numeric",
            "distinct": "189",
            "missing": "0",
            "min": "0",
            "max": "4",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "Mp",
            "index": "50",
            "type": "numeric",
            "distinct": "120",
            "missing": "0",
            "min": "1",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "Mv",
            "index": "51",
            "type": "numeric",
            "distinct": "136",
            "missing": "0",
            "min": "1",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "NaasC",
            "index": "52",
            "type": "numeric",
            "distinct": "12",
            "missing": "0",
            "min": "0",
            "max": "11",
            "mean": "5",
            "stdev": "2"
        },
        {
            "name": "nAB",
            "index": "53",
            "type": "numeric",
            "distinct": "14",
            "missing": "0",
            "min": "0",
            "max": "27",
            "mean": "14",
            "stdev": "5"
        },
        {
            "name": "nBM",
            "index": "54",
            "type": "numeric",
            "distinct": "22",
            "missing": "0",
            "min": "3",
            "max": "27",
            "mean": "16",
            "stdev": "5"
        },
        {
            "name": "nCar",
            "index": "55",
            "type": "numeric",
            "distinct": "19",
            "missing": "0",
            "min": "0",
            "max": "21",
            "mean": "12",
            "stdev": "5"
        },
        {
            "name": "nCs",
            "index": "56",
            "type": "numeric",
            "distinct": "14",
            "missing": "0",
            "min": "0",
            "max": "36",
            "mean": "3",
            "stdev": "5"
        },
        {
            "name": "nCsp3",
            "index": "57",
            "type": "numeric",
            "distinct": "20",
            "missing": "0",
            "min": "0",
            "max": "40",
            "mean": "6",
            "stdev": "5"
        },
        {
            "name": "nH",
            "index": "58",
            "type": "numeric",
            "distinct": "37",
            "missing": "0",
            "min": "5",
            "max": "85",
            "mean": "21",
            "stdev": "10"
        },
        {
            "name": "NssCH2",
            "index": "59",
            "type": "numeric",
            "distinct": "18",
            "missing": "0",
            "min": "0",
            "max": "35",
            "mean": "4",
            "stdev": "5"
        },
        {
            "name": "ON1V",
            "index": "60",
            "type": "numeric",
            "distinct": "304",
            "missing": "0",
            "min": "1",
            "max": "10",
            "mean": "3",
            "stdev": "1"
        },
        {
            "name": "PCD",
            "index": "61",
            "type": "numeric",
            "distinct": "288",
            "missing": "0",
            "min": "0",
            "max": "5",
            "mean": "3",
            "stdev": "1"
        },
        {
            "name": "PCR",
            "index": "62",
            "type": "numeric",
            "distinct": "196",
            "missing": "0",
            "min": "1",
            "max": "2",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "PDI",
            "index": "63",
            "type": "numeric",
            "distinct": "133",
            "missing": "0",
            "min": "1",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "piPC05",
            "index": "64",
            "type": "numeric",
            "distinct": "263",
            "missing": "0",
            "min": "4",
            "max": "7",
            "mean": "6",
            "stdev": "1"
        },
        {
            "name": "piPC06",
            "index": "65",
            "type": "numeric",
            "distinct": "270",
            "missing": "0",
            "min": "4",
            "max": "7",
            "mean": "6",
            "stdev": "1"
        },
        {
            "name": "piPC07",
            "index": "66",
            "type": "numeric",
            "distinct": "278",
            "missing": "0",
            "min": "4",
            "max": "8",
            "mean": "6",
            "stdev": "1"
        },
        {
            "name": "piPC08",
            "index": "67",
            "type": "numeric",
            "distinct": "294",
            "missing": "0",
            "min": "3",
            "max": "8",
            "mean": "6",
            "stdev": "1"
        }
    ],
    "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
}