Article

Reducing hERG Toxicity Using hERG Classification Model and Fragment-growing Network

2021-03-15

Abstract excerpt

Drug-induced cardiotoxicity has become one of the major reasons leading to drug withdrawal in past decades, which is closely related to the blockade of human Ether-a-go-go-related gene (hERG) potassium channel. Developing reliable hERG predicting model and optimizing model can greatly reduce the risk faced in drug discovery. In this study, we constructed eight hERG classification models, the best of which shows de...

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Literature Corpus work: 8219f9b4-c913-568f-ab63-14ab9edb790d
DOI: 10.26434/chemrxiv.13153112.v2

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