ivanovaml/TDP1_inhibitors_PAIN_flaged
收藏Hugging Face2025-11-01 更新2025-10-25 收录
下载链接：
https://hf-mirror.com/datasets/ivanovaml/TDP1_inhibitors_PAIN_flaged
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资源简介：
TDP1_inhibitors_PAIN_flagged数据集是关于人类酪氨酰-DNA磷酸二酯酶1（TDP1）抑制剂的研究数据集，包含410,564个样本。数据集中的同分异构体已被移除，样本经过PAIN标记但未从原始数据中删除。数据集提供了关于样本的活性状态和PAIN标记的详细信息，包含5列数据，分别是化合物和物质的PubChem标识符、SMILES字符串、TDP1抑制状态目标值以及PAIN标记。
The TDP1_inhibitors_PAIN_flagged dataset is focused on human Tyrosyl-DNA Phosphodiesterase 1 (TDP1) inhibitors, containing 410,564 samples. Isomers have been removed from the dataset, and samples flagged as PAIN have not been excluded from the raw data. The dataset provides detailed information on the activity status and PAIN flag of the samples, with five columns including PubChem identifiers for compounds and substances, SMILES strings, target values for TDP1 inhibition status, and a PAIN flag.
提供机构：
ivanovaml
