GraphDeep-hERG: Graph Neural Network PharmacoAnalytics for Assessing Herg-Related Cardiotoxicity

Yankang Jing, Yiyang Zhang, Guangyi Zhao, Terence McGuire, Jack Zhao, Ben Gibbs, Ganqian Hou,Zhiwei Feng,Ying Xue,Xiang-Qun Xie

Pharmaceutical Research（2025）

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关键词

alzheimer’s disease,atom-type embedding model,cardiovascular toxicity,deep learning/machine learning,graph neural networks,HERG

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