sagawa/OrganiX13
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资源简介：
这是一个包含化学物质信息的数据集，具体包括smiles表示、辛醇-水分配系数的对数、合成可及性得分和分子量。数据集经过去重处理，并分为训练集、测试集和验证集，比例为8:1:1。
This is a dataset containing chemical information, including SMILES representation, logarithm of octanol-water partition coefficient, synthetic accessibility score, and molecular weight. The dataset has been deduplicated and split into training, testing, and validation sets in an 8:1:1 ratio.
提供机构：
sagawa
