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QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL2042

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OpenML2016-07-15 更新2024-06-15 收录
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https://www.openml.org/search?type=data&sort=runs&status=active&id=35489
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资源简介:
This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL2042 (TID: 18077), and it has 16 rows and 995 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).
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2016-07-15
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