Key result
In silico predictive models using recursive partitioning classified high and weak hERG channel blockers with up to 96% overall accuracy.
Population
203 molecules tested on the hERG channel
Design
Preclinical
Authors
Loading...
May aid early hERG cardiotoxicity screening in discovery; leaves open in vivo validation before clinical use.
In silico models using recursive partitioning can accurately classify potential hERG channel blockers to assess cardiotoxic side effects early in drug discovery.
Dubus et al. (2006) studied hERG channel blockage (n=203). In silico predictive models was evaluated on Overall accuracy of classification models. In silico predictive models using recursive partitioning classified high and weak hERG channel blockers with up to 96% overall accuracy.
Synapse has enriched 4 closely related papers on similar clinical questions. Consider them for comparative context: