Ontology highlight
ABSTRACT:
SUBMITTER: Zainab Ashimiyu-Abdusalam
PROVIDER: MODEL2408060001 | BioModels | 2024-08-06
REPOSITORIES: BioModels
Briefings in bioinformatics 20220701 4
Unintended inhibition of the human ether-à-go-go-related gene (hERG) ion channel by small molecules leads to severe cardiotoxicity. Thus, hERG channel blockage is a significant concern in the development of new drugs. Several computational models have been developed to predict hERG channel blockage, including deep learning models; however, they lack robustness, reliability and interpretability. Here, we developed a graph-based Bayesian deep learning model for hERG channel blocker prediction, nam ...[more]