{
    "data_id": "29035",
    "name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL3305",
    "exact_name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL3305",
    "version": 7,
    "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: CHEMBL3305 (TID: 12643), and it has 105 rows and 62 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 01:30:32",
    "update_comment": null,
    "last_update": "2016-07-15 01:30:32",
    "licence": "Public",
    "status": "deactivated",
    "error_message": null,
    "url": "https:\/\/www.openml.org\/data\/download\/3381309\/data_52366.arff",
    "default_target_attribute": "pXC50",
    "row_id_attribute": "molecule_id",
    "ignore_attribute": null,
    "runs": 2,
    "suggest": {
        "input": [
            "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL3305",
            "This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL3305 (TID: 12643), and it has 105 rows and 62 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": 105,
        "NumberOfFeatures": 64,
        "NumberOfClasses": 0,
        "NumberOfMissingValues": 0,
        "NumberOfInstancesWithMissingValues": 0,
        "NumberOfNumericFeatures": 63,
        "NumberOfSymbolicFeatures": 1,
        "Quartile3AttributeEntropy": null,
        "MaxKurtosisOfNumericAtts": 58.19241599295448,
        "MinMeansOfNumericAtts": -4.850190476190476,
        "PercentageOfInstancesWithMissingValues": 0,
        "Quartile3KurtosisOfNumericAtts": 15.607746247348793,
        "MaxMeansOfNumericAtts": 112.31545714285714,
        "MinMutualInformation": null,
        "PercentageOfMissingValues": 0,
        "Quartile3MeansOfNumericAtts": 15.241514285714286,
        "MaxMutualInformation": null,
        "MinNominalAttDistinctValues": null,
        "PercentageOfNumericFeatures": 98.4375,
        "Quartile3MutualInformation": null,
        "MaxNominalAttDistinctValues": null,
        "MinSkewnessOfNumericAtts": -1.8409154161967287,
        "PercentageOfSymbolicFeatures": 1.5625,
        "Quartile3SkewnessOfNumericAtts": 3.240795944099771,
        "MaxSkewnessOfNumericAtts": 6.872760274768878,
        "MinStdDevOfNumericAtts": 0.002787333989537452,
        "Quartile1AttributeEntropy": null,
        "Quartile3StdDevOfNumericAtts": 7.470843799930971,
        "MaxStdDevOfNumericAtts": 47.659432604806454,
        "MinorityClassPercentage": null,
        "Quartile1KurtosisOfNumericAtts": 1.3988445568559342,
        "StdvNominalAttDistinctValues": null,
        "MeanAttributeEntropy": null,
        "MinorityClassSize": null,
        "Quartile1MeansOfNumericAtts": 0.7188476190476191,
        "MeanKurtosisOfNumericAtts": 10.862407091818428,
        "NumberOfBinaryFeatures": 0,
        "Quartile1MutualInformation": null,
        "MeanMeansOfNumericAtts": 18.129401965230535,
        "Quartile1SkewnessOfNumericAtts": 0.4888274709648921,
        "AutoCorrelation": -0.7733076923076918,
        "MeanMutualInformation": null,
        "Quartile1StdDevOfNumericAtts": 0.10562113508111996,
        "ClassEntropy": null,
        "MeanNoiseToSignalRatio": null,
        "Quartile2AttributeEntropy": null,
        "Dimensionality": 0.6095238095238096,
        "MeanNominalAttDistinctValues": null,
        "Quartile2KurtosisOfNumericAtts": 5.1497704482909485,
        "EquivalentNumberOfAtts": null,
        "MeanSkewnessOfNumericAtts": 1.804957895441125,
        "Quartile2MeansOfNumericAtts": 3.0667714285714287,
        "MajorityClassPercentage": null,
        "MeanStdDevOfNumericAtts": 7.798549850226688,
        "Quartile2MutualInformation": null,
        "MajorityClassSize": null,
        "MinAttributeEntropy": null,
        "Quartile2SkewnessOfNumericAtts": 1.7801873914901611,
        "Quartile2StdDevOfNumericAtts": 0.7753056823594806,
        "MaxAttributeEntropy": null,
        "MinKurtosisOfNumericAtts": -1.227821261968709,
        "PercentageOfBinaryFeatures": 0
    },
    "tags": [
        {
            "tag": "MetaQSAR",
            "uploader": "62"
        },
        {
            "tag": "study_13",
            "uploader": "62"
        }
    ],
    "features": [
        {
            "name": "pXC50",
            "index": "63",
            "type": "numeric",
            "distinct": "85",
            "missing": "0",
            "target": "1",
            "min": "4",
            "max": "10",
            "mean": "7",
            "stdev": "2"
        },
        {
            "name": "molecule_id",
            "index": "0",
            "type": "nominal",
            "distinct": "105",
            "missing": "0",
            "identifier": "1",
            "distr": []
        },
        {
            "name": "P_VSA_p_2",
            "index": "1",
            "type": "numeric",
            "distinct": "30",
            "missing": "0",
            "min": "0",
            "max": "281",
            "mean": "88",
            "stdev": "37"
        },
        {
            "name": "BLTA96",
            "index": "2",
            "type": "numeric",
            "distinct": "61",
            "missing": "0",
            "min": "-8",
            "max": "0",
            "mean": "-5",
            "stdev": "1"
        },
        {
            "name": "BLTD48",
            "index": "3",
            "type": "numeric",
            "distinct": "63",
            "missing": "0",
            "min": "-8",
            "max": "0",
            "mean": "-5",
            "stdev": "1"
        },
        {
            "name": "BLTF96",
            "index": "4",
            "type": "numeric",
            "distinct": "60",
            "missing": "0",
            "min": "-7",
            "max": "0",
            "mean": "-4",
            "stdev": "1"
        },
        {
            "name": "MLOGP",
            "index": "5",
            "type": "numeric",
            "distinct": "70",
            "missing": "0",
            "min": "1",
            "max": "7",
            "mean": "4",
            "stdev": "1"
        },
        {
            "name": "MLOGP2",
            "index": "6",
            "type": "numeric",
            "distinct": "70",
            "missing": "0",
            "min": "2",
            "max": "43",
            "mean": "14",
            "stdev": "6"
        },
        {
            "name": "RBF",
            "index": "7",
            "type": "numeric",
            "distinct": "31",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "P_VSA_v_2",
            "index": "8",
            "type": "numeric",
            "distinct": "34",
            "missing": "0",
            "min": "0",
            "max": "281",
            "mean": "89",
            "stdev": "37"
        },
        {
            "name": "SAacc",
            "index": "9",
            "type": "numeric",
            "distinct": "34",
            "missing": "0",
            "min": "0",
            "max": "281",
            "mean": "89",
            "stdev": "37"
        },
        {
            "name": "TPSA.NO.",
            "index": "10",
            "type": "numeric",
            "distinct": "32",
            "missing": "0",
            "min": "0",
            "max": "201",
            "mean": "48",
            "stdev": "23"
        },
        {
            "name": "TPSA.Tot.",
            "index": "11",
            "type": "numeric",
            "distinct": "32",
            "missing": "0",
            "min": "0",
            "max": "210",
            "mean": "48",
            "stdev": "24"
        },
        {
            "name": "P_VSA_e_5",
            "index": "12",
            "type": "numeric",
            "distinct": "26",
            "missing": "0",
            "min": "0",
            "max": "260",
            "mean": "87",
            "stdev": "36"
        },
        {
            "name": "SpMax6_Bh.s.",
            "index": "13",
            "type": "numeric",
            "distinct": "89",
            "missing": "0",
            "min": "3",
            "max": "7",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "P_VSA_m_3",
            "index": "14",
            "type": "numeric",
            "distinct": "30",
            "missing": "0",
            "min": "0",
            "max": "260",
            "mean": "88",
            "stdev": "36"
        },
        {
            "name": "S3K",
            "index": "15",
            "type": "numeric",
            "distinct": "85",
            "missing": "0",
            "min": "2",
            "max": "8",
            "mean": "2",
            "stdev": "1"
        },
        {
            "name": "P_VSA_s_6",
            "index": "16",
            "type": "numeric",
            "distinct": "39",
            "missing": "0",
            "min": "0",
            "max": "260",
            "mean": "94",
            "stdev": "36"
        },
        {
            "name": "nHAcc",
            "index": "17",
            "type": "numeric",
            "distinct": "8",
            "missing": "0",
            "min": "0",
            "max": "14",
            "mean": "3",
            "stdev": "2"
        },
        {
            "name": "RBN",
            "index": "18",
            "type": "numeric",
            "distinct": "9",
            "missing": "0",
            "min": "0",
            "max": "11",
            "mean": "1",
            "stdev": "2"
        },
        {
            "name": "CATS2D_03_LL",
            "index": "19",
            "type": "numeric",
            "distinct": "31",
            "missing": "0",
            "min": "4",
            "max": "45",
            "mean": "30",
            "stdev": "10"
        },
        {
            "name": "Eta_alpha_A",
            "index": "20",
            "type": "numeric",
            "distinct": "28",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "nHet",
            "index": "21",
            "type": "numeric",
            "distinct": "8",
            "missing": "0",
            "min": "0",
            "max": "16",
            "mean": "3",
            "stdev": "2"
        },
        {
            "name": "SpMaxA_EA.ed.",
            "index": "22",
            "type": "numeric",
            "distinct": "55",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "P_VSA_MR_2",
            "index": "23",
            "type": "numeric",
            "distinct": "39",
            "missing": "0",
            "min": "0",
            "max": "192",
            "mean": "77",
            "stdev": "32"
        },
        {
            "name": "SpMax5_Bh.s.",
            "index": "24",
            "type": "numeric",
            "distinct": "85",
            "missing": "0",
            "min": "4",
            "max": "7",
            "mean": "4",
            "stdev": "1"
        },
        {
            "name": "D.Dtr06",
            "index": "25",
            "type": "numeric",
            "distinct": "62",
            "missing": "0",
            "min": "53",
            "max": "516",
            "mean": "112",
            "stdev": "48"
        },
        {
            "name": "SAdon",
            "index": "26",
            "type": "numeric",
            "distinct": "9",
            "missing": "0",
            "min": "0",
            "max": "171",
            "mean": "65",
            "stdev": "31"
        },
        {
            "name": "SsOH",
            "index": "27",
            "type": "numeric",
            "distinct": "94",
            "missing": "0",
            "min": "0",
            "max": "38",
            "mean": "15",
            "stdev": "7"
        },
        {
            "name": "DLS_02",
            "index": "28",
            "type": "numeric",
            "distinct": "4",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "MATS2e",
            "index": "29",
            "type": "numeric",
            "distinct": "66",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "MATS1m",
            "index": "30",
            "type": "numeric",
            "distinct": "51",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "O.",
            "index": "31",
            "type": "numeric",
            "distinct": "43",
            "missing": "0",
            "min": "0",
            "max": "17",
            "mean": "5",
            "stdev": "3"
        },
        {
            "name": "SpMin1_Bh.e.",
            "index": "32",
            "type": "numeric",
            "distinct": "45",
            "missing": "0",
            "min": "2",
            "max": "2",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "nO",
            "index": "33",
            "type": "numeric",
            "distinct": "8",
            "missing": "0",
            "min": "0",
            "max": "12",
            "mean": "3",
            "stdev": "1"
        },
        {
            "name": "IDE",
            "index": "34",
            "type": "numeric",
            "distinct": "59",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "ATSC4s",
            "index": "35",
            "type": "numeric",
            "distinct": "98",
            "missing": "0",
            "min": "10",
            "max": "269",
            "mean": "59",
            "stdev": "32"
        },
        {
            "name": "Me",
            "index": "36",
            "type": "numeric",
            "distinct": "37",
            "missing": "0",
            "min": "1",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "Psi_i_t",
            "index": "37",
            "type": "numeric",
            "distinct": "9",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "SpMax7_Bh.s.",
            "index": "38",
            "type": "numeric",
            "distinct": "81",
            "missing": "0",
            "min": "3",
            "max": "6",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "MATS4m",
            "index": "39",
            "type": "numeric",
            "distinct": "81",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "LOC",
            "index": "40",
            "type": "numeric",
            "distinct": "41",
            "missing": "0",
            "min": "1",
            "max": "3",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "GATS5s",
            "index": "41",
            "type": "numeric",
            "distinct": "91",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "MSD",
            "index": "42",
            "type": "numeric",
            "distinct": "60",
            "missing": "0",
            "min": "4",
            "max": "10",
            "mean": "5",
            "stdev": "1"
        },
        {
            "name": "NsOH",
            "index": "43",
            "type": "numeric",
            "distinct": "5",
            "missing": "0",
            "min": "0",
            "max": "4",
            "mean": "1",
            "stdev": "1"
        },
        {
            "name": "PHI",
            "index": "44",
            "type": "numeric",
            "distinct": "86",
            "missing": "0",
            "min": "2",
            "max": "11",
            "mean": "4",
            "stdev": "1"
        },
        {
            "name": "SpMax4_Bh.s.",
            "index": "45",
            "type": "numeric",
            "distinct": "84",
            "missing": "0",
            "min": "4",
            "max": "7",
            "mean": "5",
            "stdev": "1"
        },
        {
            "name": "ALOGP",
            "index": "46",
            "type": "numeric",
            "distinct": "96",
            "missing": "0",
            "min": "1",
            "max": "7",
            "mean": "4",
            "stdev": "1"
        },
        {
            "name": "ALOGP2",
            "index": "47",
            "type": "numeric",
            "distinct": "96",
            "missing": "0",
            "min": "1",
            "max": "49",
            "mean": "14",
            "stdev": "7"
        },
        {
            "name": "GATS5m",
            "index": "48",
            "type": "numeric",
            "distinct": "81",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "X1A",
            "index": "49",
            "type": "numeric",
            "distinct": "32",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "GATS5e",
            "index": "50",
            "type": "numeric",
            "distinct": "91",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "Eta_epsi_A",
            "index": "51",
            "type": "numeric",
            "distinct": "53",
            "missing": "0",
            "min": "0",
            "max": "1",
            "mean": "1",
            "stdev": "0"
        },
        {
            "name": "MATS4s",
            "index": "52",
            "type": "numeric",
            "distinct": "67",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "Psi_e_A",
            "index": "53",
            "type": "numeric",
            "distinct": "84",
            "missing": "0",
            "min": "7",
            "max": "8",
            "mean": "8",
            "stdev": "0"
        },
        {
            "name": "Psi_i_A",
            "index": "54",
            "type": "numeric",
            "distinct": "84",
            "missing": "0",
            "min": "2",
            "max": "3",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "ATSC2s",
            "index": "55",
            "type": "numeric",
            "distinct": "98",
            "missing": "0",
            "min": "6",
            "max": "180",
            "mean": "19",
            "stdev": "18"
        },
        {
            "name": "HVcpx",
            "index": "56",
            "type": "numeric",
            "distinct": "57",
            "missing": "0",
            "min": "3",
            "max": "4",
            "mean": "3",
            "stdev": "0"
        },
        {
            "name": "nR10",
            "index": "57",
            "type": "numeric",
            "distinct": "4",
            "missing": "0",
            "min": "0",
            "max": "3",
            "mean": "2",
            "stdev": "1"
        },
        {
            "name": "SpMax1_Bh.i.",
            "index": "58",
            "type": "numeric",
            "distinct": "52",
            "missing": "0",
            "min": "4",
            "max": "4",
            "mean": "4",
            "stdev": "0"
        },
        {
            "name": "CATS2D_04_LL",
            "index": "59",
            "type": "numeric",
            "distinct": "32",
            "missing": "0",
            "min": "2",
            "max": "43",
            "mean": "24",
            "stdev": "9"
        },
        {
            "name": "MATS4e",
            "index": "60",
            "type": "numeric",
            "distinct": "70",
            "missing": "0",
            "min": "0",
            "max": "0",
            "mean": "0",
            "stdev": "0"
        },
        {
            "name": "SpMin2_Bh.i.",
            "index": "61",
            "type": "numeric",
            "distinct": "54",
            "missing": "0",
            "min": "2",
            "max": "2",
            "mean": "2",
            "stdev": "0"
        },
        {
            "name": "S2K",
            "index": "62",
            "type": "numeric",
            "distinct": "88",
            "missing": "0",
            "min": "4",
            "max": "14",
            "mean": "5",
            "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
}