{ "data_id": "35287", "name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL4822", "exact_name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL4822", "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: CHEMBL4822 (TID: 12252), and it has 2998 rows and 1421 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).", "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 17:38:21", "update_comment": null, "last_update": "2016-07-15 17:38:21", "licence": "Public", "status": "deactivated", "error_message": null, "url": "https:\/\/www.openml.org\/data\/download\/3553648\/data_51005.arff", "default_target_attribute": "pXC50", "row_id_attribute": "molecule_id", "ignore_attribute": null, "runs": 1, "suggest": { "input": [ "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL4822", "This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL4822 (TID: 12252), and it has 2998 rows and 1421 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). " ], "weight": 5 }, "qualities": { "NumberOfInstances": 2998, "NumberOfFeatures": 1423, "NumberOfClasses": 0, "NumberOfMissingValues": 0, "NumberOfInstancesWithMissingValues": 0, "NumberOfNumericFeatures": 1422, "NumberOfSymbolicFeatures": 1, "ClassEntropy": null, "MeanNoiseToSignalRatio": null, "Quartile2AttributeEntropy": null, "Dimensionality": 0.4746497665110073, "MeanNominalAttDistinctValues": null, "Quartile2KurtosisOfNumericAtts": 4.352091859487188, "EquivalentNumberOfAtts": null, "MeanSkewnessOfNumericAtts": 3.212963620151493, "Quartile2MeansOfNumericAtts": 2.0068027018012007, "MajorityClassPercentage": null, "MeanStdDevOfNumericAtts": 395.28550321855585, "Quartile2MutualInformation": null, "MajorityClassSize": null, "MinAttributeEntropy": null, "Quartile2SkewnessOfNumericAtts": 0.8174925950350413, "MaxAttributeEntropy": null, "MinKurtosisOfNumericAtts": -1.9573523202094423, "PercentageOfBinaryFeatures": 0, "Quartile2StdDevOfNumericAtts": 0.4009754844376321, "MaxKurtosisOfNumericAtts": 2998.000000000613, "MinMeansOfNumericAtts": -4.098328885923949, "PercentageOfInstancesWithMissingValues": 0, "Quartile3AttributeEntropy": null, "MaxMeansOfNumericAtts": 77645.64242828515, "MinMutualInformation": null, "PercentageOfMissingValues": 0, "Quartile3KurtosisOfNumericAtts": 20.79958004071778, "MaxMutualInformation": null, "MinNominalAttDistinctValues": null, "PercentageOfNumericFeatures": 99.9297259311314, "Quartile3MeansOfNumericAtts": 6.878779269513009, "MaxNominalAttDistinctValues": null, "MinSkewnessOfNumericAtts": -54.75399528801923, "PercentageOfSymbolicFeatures": 0.07027406886858749, "Quartile3MutualInformation": null, "MaxSkewnessOfNumericAtts": 54.753995288015126, "MinStdDevOfNumericAtts": 2.582419049152867e-5, "Quartile1AttributeEntropy": null, "Quartile3SkewnessOfNumericAtts": 3.1226119115328888, "MaxStdDevOfNumericAtts": 155969.4406280603, "MinorityClassPercentage": null, "Quartile1KurtosisOfNumericAtts": 1.0173198291767058, 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