{ "data_id": "27705", "name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL4505", "exact_name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL4505", "version": 10, "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: CHEMBL4505 (TID: 12978), and it has 23 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": "2016-07-14 22:12:14", "update_comment": null, "last_update": "2016-07-14 22:12:14", "licence": "Public", "status": "deactivated", "error_message": null, "url": "https:\/\/www.openml.org\/data\/download\/3337821\/data_35449.arff", "default_target_attribute": "pXC50", "row_id_attribute": "molecule_id", "ignore_attribute": null, "runs": 1, "suggest": { "input": [ "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL4505", "This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL4505 (TID: 12978), and it has 23 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": 23, "NumberOfFeatures": 45, "NumberOfClasses": 0, "NumberOfMissingValues": 0, "NumberOfInstancesWithMissingValues": 0, "NumberOfNumericFeatures": 44, "NumberOfSymbolicFeatures": 1, "MeanAttributeEntropy": null, "MinorityClassSize": null, "Quartile1MeansOfNumericAtts": 0.30434782608695654, "StdvNominalAttDistinctValues": null, "MeanKurtosisOfNumericAtts": 1.9703918531555142, "NumberOfBinaryFeatures": 0, "Quartile1MutualInformation": null, "MeanMeansOfNumericAtts": 19.022442687747038, "Quartile1SkewnessOfNumericAtts": 0.16550721720082334, "MeanMutualInformation": null, "Quartile1StdDevOfNumericAtts": 0.08518373622341044, "AutoCorrelation": -0.19240909090909078, "MeanNoiseToSignalRatio": null, "Quartile2AttributeEntropy": null, "ClassEntropy": null, "MeanNominalAttDistinctValues": null, "Quartile2KurtosisOfNumericAtts": 0.39424212168439765, "Dimensionality": 1.9565217391304348, "MeanSkewnessOfNumericAtts": 0.7786465171989985, "Quartile2MeansOfNumericAtts": 5.608695652173912, "EquivalentNumberOfAtts": null, "MeanStdDevOfNumericAtts": 5.046505715861235, "Quartile2MutualInformation": null, "MajorityClassPercentage": null, "MinAttributeEntropy": null, "Quartile2SkewnessOfNumericAtts": 0.4795611889780328, "MajorityClassSize": null, "MinKurtosisOfNumericAtts": -1.6751847000534505, "PercentageOfBinaryFeatures": 0, "Quartile2StdDevOfNumericAtts": 1.5799470451382231, "MaxAttributeEntropy": null, "MaxKurtosisOfNumericAtts": 23.000000000000043, "MinMeansOfNumericAtts": 0, "PercentageOfInstancesWithMissingValues": 0, "Quartile3AttributeEntropy": null, "MaxMeansOfNumericAtts": 350.69608695652175, "MinMutualInformation": null, "PercentageOfMissingValues": 0, "Quartile3KurtosisOfNumericAtts": 2.709615542857148, "MaxMutualInformation": null, "MinNominalAttDistinctValues": null, "PercentageOfNumericFeatures": 97.77777777777777, "Quartile3MeansOfNumericAtts": 22.25, "MaxNominalAttDistinctValues": null, 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