In FDA news, Quantitative Structure-Activity Relationship (QSAR) models have emerged as a vital tool in regulatory reviews, offering a swift evaluation of the toxicological and pharmacological properties of chemical compounds based solely on their structural features. “QSAR modelling is a well-known technique that reveals associations between structural characteristics or properties and biological or toxicological activities under the general assumption that similar chemical structures display similar activities. Predictions can be generated for a drug substance itself, intermediates, pre-cursor materials related to the drug substance, degradation products, or leachables.”1 Moreover, these models are increasingly employed to expedite experimental investigations into the potential effects of newly identified drugs of abuse and aid in emergency scheduling. QSAR models offer regulatory agencies a practical solution when empirical data is scarce or unavailable, allowing them to assess the toxicological/pharmacological potential of substances at endpoints crucial for regulatory decision-making.
This article from the FDA explores the growing importance of QSAR models in regulatory contexts, highlighting their utility and significance in addressing knowledge gaps and facilitating efficient risk assessment processes.
References
- https://www.fda.gov/drugs/regulatory-science-action/new-developments-regulatory-qsar-modeling-new-qsar-model-predicting-blood-brain-barrier-permeability
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