Pharmacology
Phase 2 — Target Identification & Compound Profiling
2.6 ADMET Prediction and Compound Profiling
2.6.5 Toxicity (In-Silico)

2.6.5 Toxicity (In-Silico)

Computational toxicity prediction platforms such as DEREK Nexus and Sarah Nexus flag structural alerts associated with known...

PharmacologyPhase 2 — Target Identification & Compound Profiling2.6 ADMET Prediction and Compound Profiling1 min readUpdated 2026-07-13

Computational toxicity prediction platforms such as DEREK Nexus and Sarah Nexus flag structural alerts associated with known toxicophores. Of particular concern in early profiling is hERG channel liability, a predictor of cardiac QT-interval prolongation and potentially fatal arrhythmia; AMES mutagenicity prediction and blood-brain barrier (BBB) penetration scoring are likewise routinely generated at this stage.

Related Topics

1.4.1 Neuropharmacology1.4.2 Cardiovascular Pharmacology1.4.3 Chemotherapy (Anticancer and Anti-infective Pharmacology)1.4.4 Endocrine Pharmacology
2.6.4 Excretion2.6.6 Computational Tools