Predicting hERG channel blockers with directed message passing neural networks
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DOI: 10.1039/d1ra07956e
Abstract: Compounds with human ether-à-go-go related gene (hERG) blockade activity may cause severe cardiotoxicity. Assessing the hERG liability in the early stages of the drug discovery process is important, and the in silico methods for predicting… read more here.
Keywords: predicting herg; herg; message passing; channel blockers ... See more keywords