{ "data_id": "35458", "name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL2231", "exact_name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL2231", "version": 11, "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: CHEMBL2231 (TID: 11113), and it has 94 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 18:05:41", "update_comment": null, "last_update": "2016-07-15 18:05:41", "licence": "Public", "status": "deactivated", "error_message": null, "url": "https:\/\/www.openml.org\/data\/download\/3558419\/data_34164.arff", "kaggle_url": null, "default_target_attribute": "pXC50", "row_id_attribute": "molecule_id", "ignore_attribute": null, "runs": 1, "suggest": { "input": [ "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL2231", "This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL2231 (TID: 11113), and it has 94 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": 94, "NumberOfFeatures": 45, "NumberOfClasses": 0, "NumberOfMissingValues": 0, "NumberOfInstancesWithMissingValues": 0, "NumberOfNumericFeatures": 44, "NumberOfSymbolicFeatures": 1, "MaxSkewnessOfNumericAtts": 9.695359714832659, "MinStdDevOfNumericAtts": 0, "Quartile1AttributeEntropy": null, "Quartile3SkewnessOfNumericAtts": 3.1796168309973485, "MaxStdDevOfNumericAtts": 76.10331832921854, "MinorityClassPercentage": null, "Quartile1KurtosisOfNumericAtts": 0.07810884535314844, "Quartile3StdDevOfNumericAtts": 5.643988967482219, "MeanAttributeEntropy": null, "MinorityClassSize": null, "Quartile1MeansOfNumericAtts": 0.21542553191489358, "StdvNominalAttDistinctValues": null, "MeanKurtosisOfNumericAtts": 8.86171755419055, "NumberOfBinaryFeatures": 0, "Quartile1MutualInformation": null, "MeanMeansOfNumericAtts": 18.088192456479693, "Quartile1SkewnessOfNumericAtts": 0.45677609521769835, "MeanMutualInformation": null, 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