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Kamyar-zeinalipour/Protein-drug-pair-v2
该数据集包含了化合物的化学信息（如化学文摘服务号（ChEMBL ID）、标准SMILES表示）、生物目标信息（如目标ChEMBL ID、首选名称）、生物序列信息（如生物体、蛋白质序列）等。数据集分为训练集和测试集，其中训练集包含了304,138个示例，测试集包含了10,782个示例。数据集的总体大小为468,177,230字节。
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A lysine-specific demethylase is an enzyme that selectively eliminates methyl groups from lysine residues. KDM5A, also known as JARID1A or RBP2, belongs to the KDM5 Jumonji histone demethylase subfami
DataCite Commons2025-11-12 更新70
Comprehensive analysis of commercial fragment libraries.
Description of the files Fragments from libraries: allFragments_annotations.sdf: SDF file containing the 3D conformation of all unique 512284 fragments. Descriptors present on the file:
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