{ "data_id": "29202", "name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL4894", "exact_name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL4894", "version": 8, "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: CHEMBL4894 (TID: 10190), and it has 66 rows and 61 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 01:55:02", "update_comment": null, "last_update": "2016-07-15 01:55:02", "licence": "Public", "status": "deactivated", "error_message": null, "url": "https:\/\/www.openml.org\/data\/download\/3386016\/data_52252.arff", "default_target_attribute": "pXC50", "row_id_attribute": "molecule_id", "ignore_attribute": null, "runs": 2, "suggest": { "input": [ "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL4894", "This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL4894 (TID: 10190), and it has 66 rows and 61 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": 66, "NumberOfFeatures": 63, "NumberOfClasses": 0, "NumberOfMissingValues": 0, "NumberOfInstancesWithMissingValues": 0, "NumberOfNumericFeatures": 62, "NumberOfSymbolicFeatures": 1, "ClassEntropy": null, "MeanNoiseToSignalRatio": null, "Quartile2AttributeEntropy": null, "Dimensionality": 0.9545454545454546, "MeanNominalAttDistinctValues": null, "Quartile2KurtosisOfNumericAtts": -1.5340269588345432, "EquivalentNumberOfAtts": null, "MeanSkewnessOfNumericAtts": -0.340131736814961, "Quartile2MeansOfNumericAtts": 6.518765151515152, "MajorityClassPercentage": null, "MeanStdDevOfNumericAtts": 30.23274173259004, "Quartile2MutualInformation": null, "MajorityClassSize": null, "MinAttributeEntropy": null, "Quartile2SkewnessOfNumericAtts": -0.26912182778303523, "MaxAttributeEntropy": null, "MinKurtosisOfNumericAtts": -1.7145523128581783, "PercentageOfBinaryFeatures": 0, "Quartile2StdDevOfNumericAtts": 1.794771611136812, "MaxKurtosisOfNumericAtts": -0.9119283002892908, "MinMeansOfNumericAtts": 1.5974696969696969, "PercentageOfInstancesWithMissingValues": 0, "Quartile3AttributeEntropy": null, "MaxMeansOfNumericAtts": 402.0932121212121, "MinMutualInformation": null, "PercentageOfMissingValues": 0, "Quartile3KurtosisOfNumericAtts": -1.4834136834403169, "MaxMutualInformation": null, "MinNominalAttDistinctValues": null, "PercentageOfNumericFeatures": 98.4126984126984, "Quartile3MeansOfNumericAtts": 63.55901515151515, "MaxNominalAttDistinctValues": null, "MinSkewnessOfNumericAtts": -0.7787312465472253, "PercentageOfSymbolicFeatures": 1.5873015873015872, "Quartile3MutualInformation": null, "MaxSkewnessOfNumericAtts": 0.17451857875329185, "MinStdDevOfNumericAtts": 0.5417587376654205, "Quartile1AttributeEntropy": null, "Quartile3SkewnessOfNumericAtts": -0.19469579227117806, "MaxStdDevOfNumericAtts": 222.10493288003897, "MinorityClassPercentage": null, "Quartile1KurtosisOfNumericAtts": -1.5916889033481825, "Quartile3StdDevOfNumericAtts": 37.924865765876824, "MeanAttributeEntropy": null, "MinorityClassSize": null, "Quartile1MeansOfNumericAtts": 5.27471590909091, "StdvNominalAttDistinctValues": null, "MeanKurtosisOfNumericAtts": -1.514582373436123, "NumberOfBinaryFeatures": 0, "Quartile1MutualInformation": null, "MeanMeansOfNumericAtts": 50.6519183773216, "Quartile1SkewnessOfNumericAtts": -0.5247671004487968, "AutoCorrelation": -0.14083076923076918, "MeanMutualInformation": null, "Quartile1StdDevOfNumericAtts": 0.8326130809436673 }, "tags": [ { "tag": "MetaQSAR", "uploader": "62" }, { "tag": "study_13", "uploader": "62" } ], "features": [ { "name": "pXC50", "index": "62", "type": "numeric", "distinct": "55", "missing": "0", "target": "1", "min": "4", "max": "10", "mean": "7", "stdev": "2" }, { "name": "molecule_id", "index": "0", "type": "nominal", "distinct": "66", "missing": "0", "identifier": "1", "distr": [] }, { "name": "AMR", "index": "1", "type": "numeric", "distinct": "59", "missing": "0", "min": "113", "max": "808", "mean": "402", "stdev": "222" }, { "name": "ATS1e", "index": "2", "type": "numeric", "distinct": "55", "missing": "0", "min": "4", "max": "6", "mean": "5", "stdev": "1" }, { "name": "ATS1i", "index": "3", "type": "numeric", "distinct": "55", "missing": "0", "min": "4", "max": "6", "mean": "5", "stdev": "1" }, { "name": "ATS1p", "index": "4", "type": "numeric", "distinct": "57", "missing": "0", "min": "4", "max": "6", "mean": "5", "stdev": "1" }, { "name": "ATS1v", "index": "5", "type": "numeric", "distinct": "58", "missing": "0", "min": "4", "max": "6", "mean": "5", "stdev": "1" }, { "name": "ATS2e", "index": "6", "type": "numeric", "distinct": "55", "missing": "0", "min": "5", "max": "7", "mean": "6", "stdev": "1" }, { "name": "ATS2i", "index": "7", "type": "numeric", "distinct": "57", "missing": "0", "min": "5", "max": "7", "mean": "6", "stdev": "1" }, { "name": "ATS2p", "index": "8", "type": "numeric", "distinct": "57", "missing": "0", "min": "4", "max": "6", "mean": "5", "stdev": "1" }, { "name": "ATS2v", "index": "9", "type": "numeric", "distinct": "58", "missing": "0", "min": "4", "max": "6", "mean": "5", "stdev": "1" }, { "name": "ATS3e", "index": "10", "type": "numeric", "distinct": "59", "missing": "0", "min": "5", "max": "7", "mean": "6", "stdev": "1" }, { "name": "ATS3i", "index": "11", "type": "numeric", "distinct": "58", "missing": "0", "min": "5", "max": "7", "mean": "6", "stdev": "1" }, { "name": "ATS3p", "index": "12", "type": "numeric", "distinct": "56", "missing": "0", "min": "4", "max": "6", "mean": "5", "stdev": "1" }, { "name": "ATS3v", "index": "13", "type": "numeric", "distinct": "57", "missing": "0", "min": "4", "max": "6", "mean": "5", "stdev": "1" }, { "name": "ATS4e", "index": "14", "type": "numeric", "distinct": "57", "missing": "0", "min": "5", "max": "7", "mean": "6", "stdev": "1" }, { "name": "ATS4i", "index": "15", "type": "numeric", "distinct": "57", "missing": "0", "min": "5", "max": "7", "mean": "6", "stdev": "1" }, { "name": "ATS4p", "index": "16", "type": "numeric", "distinct": "57", "missing": "0", "min": "4", "max": "6", "mean": "5", "stdev": "1" }, { "name": "ATS5e", "index": "17", "type": "numeric", "distinct": "61", "missing": "0", "min": "5", "max": "7", "mean": "6", "stdev": "1" }, { "name": "ATS5i", "index": "18", "type": "numeric", "distinct": "58", "missing": "0", "min": "5", "max": "7", "mean": "6", "stdev": "1" }, { "name": "ATS5p", "index": "19", "type": "numeric", "distinct": "56", "missing": "0", "min": "4", "max": "6", "mean": "5", "stdev": "1" }, { "name": "ATS6e", "index": "20", "type": "numeric", "distinct": "58", "missing": "0", "min": "5", "max": "7", "mean": "6", "stdev": "1" }, { "name": "ATS6i", "index": "21", "type": "numeric", "distinct": "58", "missing": "0", "min": "5", "max": "8", "mean": "6", "stdev": "1" }, { "name": "ATS7e", "index": "22", "type": "numeric", "distinct": "59", "missing": "0", "min": "5", "max": "7", "mean": "6", "stdev": "1" }, { "name": "ATS7i", "index": "23", "type": "numeric", "distinct": "57", "missing": "0", "min": "5", "max": "8", "mean": "7", "stdev": "1" }, { "name": "ATS8e", "index": "24", "type": "numeric", "distinct": "58", "missing": "0", "min": "5", "max": "8", "mean": "6", "stdev": "1" }, { "name": "ATS8i", "index": "25", "type": "numeric", "distinct": "59", "missing": "0", "min": "5", "max": "8", "mean": "7", "stdev": "1" }, { "name": "ATSC1i", "index": "26", "type": "numeric", "distinct": "57", "missing": "0", "min": "1", "max": "6", "mean": "3", "stdev": "2" }, { "name": "ATSC1m", "index": "27", "type": "numeric", "distinct": "57", "missing": "0", "min": "9", "max": "96", "mean": "51", "stdev": "31" }, { "name": "ATSC1v", "index": "28", "type": "numeric", "distinct": "58", "missing": "0", "min": "6", "max": "51", "mean": "28", "stdev": "16" }, { "name": "ATSC2i", "index": "29", "type": "numeric", "distinct": "59", "missing": "0", "min": "1", "max": "10", "mean": "5", "stdev": "3" }, { "name": "ATSC2m", "index": "30", "type": "numeric", "distinct": "59", "missing": "0", "min": "21", "max": "180", "mean": "96", "stdev": "56" }, { "name": "ATSC2p", "index": "31", "type": "numeric", "distinct": "59", "missing": "0", "min": "8", "max": "59", "mean": "32", "stdev": "18" }, { "name": "ATSC2v", "index": "32", "type": "numeric", "distinct": "59", "missing": "0", "min": "10", "max": "90", "mean": "48", "stdev": "29" }, { "name": "ATSC3i", "index": "33", "type": "numeric", "distinct": "59", "missing": "0", "min": "1", "max": "12", "mean": "6", "stdev": "3" }, { "name": "ATSC3m", "index": "34", "type": "numeric", "distinct": "59", "missing": "0", "min": "27", "max": "280", "mean": "142", "stdev": "87" }, { "name": "ATSC3p", "index": "35", "type": "numeric", "distinct": "59", "missing": "0", "min": "8", "max": "78", "mean": "41", "stdev": "24" }, { "name": "ATSC3v", "index": "36", "type": "numeric", "distinct": "59", "missing": "0", "min": "13", "max": "118", "mean": "63", "stdev": "38" }, { "name": "ATSC4m", "index": "37", "type": "numeric", "distinct": "61", "missing": "0", "min": "28", "max": "324", "mean": "160", "stdev": "99" }, { "name": "ATSC4v", "index": "38", "type": "numeric", "distinct": "61", "missing": "0", "min": "13", "max": "126", "mean": "66", "stdev": "39" }, { "name": "ATSC5i", "index": "39", "type": "numeric", "distinct": "61", "missing": "0", "min": "1", "max": "14", "mean": "7", "stdev": "4" }, { "name": "ATSC5m", "index": "40", "type": "numeric", "distinct": "61", "missing": "0", "min": "26", "max": "338", "mean": "165", "stdev": "104" }, { "name": "ATSC5p", "index": "41", "type": "numeric", "distinct": "61", "missing": "0", "min": "8", "max": "85", "mean": "42", "stdev": "25" }, { "name": "ATSC5v", "index": "42", "type": "numeric", "distinct": "61", "missing": "0", "min": "10", "max": "133", "mean": "67", "stdev": "41" }, { "name": "ATSC6m", "index": "43", "type": "numeric", "distinct": "61", "missing": "0", "min": "24", "max": "376", "mean": "179", "stdev": "117" }, { "name": "ATSC6p", "index": "44", "type": "numeric", "distinct": "59", "missing": "0", "min": "7", "max": "98", "mean": "48", "stdev": "30" }, { "name": "ATSC6v", "index": "45", "type": "numeric", "distinct": "61", "missing": "0", "min": "10", "max": "149", "mean": "73", "stdev": "47" }, { "name": "ATSC7m", "index": "46", "type": "numeric", "distinct": "61", "missing": "0", "min": "26", "max": "418", "mean": "195", "stdev": "129" }, { "name": "ATSC7v", "index": "47", "type": "numeric", "distinct": "61", "missing": "0", "min": "11", "max": "164", "mean": "79", "stdev": "52" }, { "name": "ATSC8m", "index": "48", "type": "numeric", "distinct": "61", "missing": "0", "min": "27", "max": "454", "mean": "210", "stdev": "141" }, { "name": "ATSC8v", "index": "49", "type": "numeric", "distinct": "61", "missing": "0", "min": "14", "max": "184", "mean": "89", "stdev": "58" }, { "name": "CIC0", "index": "50", "type": "numeric", "distinct": "56", "missing": "0", "min": "4", "max": "7", "mean": "6", "stdev": "1" }, { "name": "CIC1", "index": "51", "type": "numeric", "distinct": "57", "missing": "0", "min": "2", "max": "5", "mean": "4", "stdev": "1" }, { "name": "CIC2", "index": "52", "type": "numeric", "distinct": "60", "missing": "0", "min": "1", "max": "4", "mean": "3", "stdev": "1" }, { "name": "Eig11_EA.ri.", "index": "53", "type": "numeric", "distinct": "35", "missing": "0", "min": "1", "max": "3", "mean": "2", "stdev": "1" }, { "name": "Eig14_EA.ri.", "index": "54", "type": "numeric", "distinct": "35", "missing": "0", "min": "0", "max": "3", "mean": "2", "stdev": "1" }, { "name": "Eta_alpha", "index": "55", "type": "numeric", "distinct": "54", "missing": "0", "min": "13", "max": "104", "mean": "50", "stdev": "28" }, { "name": "Eta_C", "index": "56", "type": "numeric", "distinct": "64", "missing": "0", "min": "21", "max": "485", "mean": "206", "stdev": "146" }, { "name": "Eta_C_A", "index": "57", "type": "numeric", "distinct": "60", "missing": "0", "min": "1", "max": "2", "mean": "2", "stdev": "1" }, { "name": "Eta_L", "index": "58", "type": "numeric", "distinct": "59", "missing": "0", "min": "6", "max": "60", "mean": "31", "stdev": "19" }, { "name": "H.050", "index": "59", "type": "numeric", "distinct": "20", "missing": "0", "min": "1", "max": "55", "mean": "21", "stdev": "16" }, { "name": "Hy", "index": "60", "type": "numeric", "distinct": "54", "missing": "0", "min": "0", "max": "41", "mean": "15", "stdev": "12" }, { "name": "IAC", "index": "61", "type": "numeric", "distinct": "56", "missing": "0", "min": "78", "max": "741", "mean": "356", "stdev": "210" } ], "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 }