Toxicology and safety assessment are critical pillars of medicinal chemistry, ensuring that promising compounds are not only effective but also safe for human use.
This section explores the biochemical and molecular mechanisms of toxicity, predictive in silico models, off-target profiling, and strategies for minimizing adverse effects during drug development. From early-stage screening to regulatory toxicology, we examine how chemists and toxicologists work together to balance therapeutic benefit with biological risk.
| Subfield | Focus Area |
|---|---|
| In Vitro Toxicology | Cell-based assays to assess cytotoxicity, genotoxicity, and organ-specific effects. |
| In Vivo Toxicology | Animal studies to evaluate systemic toxicity, dose–response, and organ damage. |
| Predictive Toxicology | In silico models (QSAR, AI/ML) to forecast toxicity before synthesis or testing. |
| Off-Target Toxicity | Unintended interactions with non-target proteins or receptors. |