hERG Toxicity Prediction: Why Molecules Fail Cardiac Safety

By BioDockify Computational Research Team · September 6, 2026 · ADMET

hERG toxicity prediction explained — what the hERG channel does, why blockade causes QT prolongation, in-silico prediction methods, withdrawn drugs, and structural red flags.

Read the complete article with tables, code and references on BioDockify.

Key References

• Sanguinetti, M.C. & Tristani-Firouzi, M. hERG potassium channels and cardiac arrhythmia. Nature 440, 463-469 (2006).
• In silico ADMET prediction: recent advances, current challenges and future trends. WIREs Comput. Mol. Sci. (2013).

Scope & Limitations

hERG models are classifiers with limited accuracy hERG risk is one contributor to torsade risk, not the whole picture