Key result
A predictive QSAR model for hERG blockade achieved overall R(2) values between 0.60 and 0.70 for independent validation sets.
Population
Literature dataset of 113 molecules
Design
Preclinical
Authors
Loading...
May aid preclinical hERG screening in drug development; leaves open prospective validation before routine use.
Effect estimate: R(2) 0.60-0.70
A composite QSAR model differentiating specific and nonspecific binding can predict hERG blockade, highlighting that hERG toxicity may occur through different types of binding.
Krämer et al. (2007) studied hERG blockade (n=113). Predictive QSAR model was evaluated on R(2) values for independent validation sets (R(2) 0.60-0.70). A predictive QSAR model for hERG blockade achieved overall R(2) values between 0.60 and 0.70 for independent validation sets.
Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context: