QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL2246
收藏OpenML2016-07-14 更新2024-06-15 收录
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https://www.openml.org/search?type=data&sort=runs&status=active&id=27610
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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: CHEMBL2246 (TID: 11308), and it has 62 rows and 1024 features (not including molecule IDs and class feature: molecule_id and pXC50). The features represent FCFP 1024-bit Molecular Fingerprints which were generated from SMILES strings. They were obtained using the Pipeline Pilot program, Dassault Systèmes BIOVIA. Generating Fingerprints do not usu
创建时间：
2016-07-14
