{ "data_id": "35461", "name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL3644", "exact_name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL3644", "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: CHEMBL3644 (TID: 18011), and it has 11 rows and 43 features (not including molecule IDs and class feature: molecule_id and pXC50). The features represent Basic 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 18:06:09", "update_comment": null, "last_update": "2016-07-15 18:06:09", "licence": "Public", "status": "deactivated", "error_message": null, "url": "https:\/\/www.openml.org\/data\/download\/3558506\/data_34985.arff", "default_target_attribute": "pXC50", "row_id_attribute": "molecule_id", "ignore_attribute": null, "runs": 1, "suggest": { "input": [ "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL3644", "This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL3644 (TID: 18011), and it has 11 rows and 43 features (not including molecule IDs and class feature: molecule_id and pXC50). The features represent Basic Molecular Descriptors which were generated from SMILES strings. Missing value imputation was applied to this dataset (By choosing the Median). " ], "weight": 5 }, "qualities": { "NumberOfInstances": 11, "NumberOfFeatures": 45, "NumberOfClasses": 0, "NumberOfMissingValues": 0, "NumberOfInstancesWithMissingValues": 0, "NumberOfNumericFeatures": 44, "NumberOfSymbolicFeatures": 1, "ClassEntropy": null, "MeanNoiseToSignalRatio": null, "Quartile2AttributeEntropy": null, "Dimensionality": 4.090909090909091, "MeanNominalAttDistinctValues": null, "Quartile2KurtosisOfNumericAtts": -0.2875434027777768, "EquivalentNumberOfAtts": null, "MeanSkewnessOfNumericAtts": 0.6329789341668726, "Quartile2MeansOfNumericAtts": 5.513136363636363, "MajorityClassPercentage": null, "MeanStdDevOfNumericAtts": 3.3827516917019578, "Quartile2MutualInformation": null, "MajorityClassSize": null, "MinAttributeEntropy": null, "Quartile2SkewnessOfNumericAtts": 0.30187773760144365, "MaxAttributeEntropy": null, "MinKurtosisOfNumericAtts": -2.444444444444444, "PercentageOfBinaryFeatures": 0, "Quartile2StdDevOfNumericAtts": 1.2296659833682861, "MaxKurtosisOfNumericAtts": 10.999999999999996, "MinMeansOfNumericAtts": 0, "PercentageOfInstancesWithMissingValues": 0, "Quartile3AttributeEntropy": null, "MaxMeansOfNumericAtts": 358.95, "MinMutualInformation": null, "PercentageOfMissingValues": 0, "Quartile3KurtosisOfNumericAtts": 0.3378853007941238, "MaxMutualInformation": null, "MinNominalAttDistinctValues": null, "PercentageOfNumericFeatures": 97.77777777777777, "Quartile3MeansOfNumericAtts": 28.25, "MaxNominalAttDistinctValues": null, "MinSkewnessOfNumericAtts": -0.4985853237941136, "PercentageOfSymbolicFeatures": 2.2222222222222223, "Quartile3MutualInformation": null, "MaxSkewnessOfNumericAtts": 3.3166247903554, "MinStdDevOfNumericAtts": 0, "Quartile1AttributeEntropy": null, "Quartile3SkewnessOfNumericAtts": 0.8942283790683185, "MaxStdDevOfNumericAtts": 58.13119076709164, "MinorityClassPercentage": null, "Quartile1KurtosisOfNumericAtts": -1.0352814055736548, "Quartile3StdDevOfNumericAtts": 3.9861801290812364, 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