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药物诱导的肝毒性的一种多维计算框架:将分子结构特征与疾病发病因子结合起来

Huayu Zhong1, Juanji Wang1, Xiaoxiao Liu1

  • 1College of Pharmacy, Chongqing Medical University, No. 1 Yixueyuan Road, Yuzhong District, Chongqing 400016, P. R. China.

Briefings in bioinformatics
|September 8, 2025
PubMed
概括

这项研究引入了一个计算框架来预测药物诱导的肝损伤,特别是药物诱导的肝内胆固醇. 该方法整合了分子结构和疾病途径,在识别有毒化合物方面实现了高精度.

关键词:
在CNN-GCN中使用.疾病基因集群 疾病基因集群药物诱导的肝毒性这是一个多维的计算框架.结构性警报 结构性警报

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