MonarchInit/C3PO
收藏Hugging Face2025-01-11 更新2025-04-26 收录
下载链接：
https://hf-mirror.com/datasets/MonarchInit/C3PO
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资源简介：
C3PO-v237是一个基于CHEBI本体论的化学分类基准，包含177,875个化学结构（以SMILES字符串表示）和1364个分类类别。数据集可以根据不同属性进行划分，并提供一个子集C3PO-Slim，包含至少有一个映射的化学结构，适用于生物学文献和数据库。数据集分为20%的验证集和80%的训练测试集。
C3PO-v237 is a chemical classification benchmark derived from the CHEBI ontology, containing 177,875 chemical structures represented by SMILES strings and 1364 classification classes. The dataset can be partitioned based on different properties, and a subset called C3PO-Slim is provided, which includes structures with at least one mapping, suitable for biological literature and databases. The dataset is divided into 20% for validation and 80% for training and testing.
提供机构：
MonarchInit
