(Q)SAR Modeling and Safety Assessment in Regulatory Review

• Published in: Clinical pharmacology and therapeutics Vol. 91; no. 3; pp. 529 - 534
• Main Authors: Kruhlak, N L, Benz, R D, Zhou, H, Colatsky, T J
• Format: Journal Article
• Language: English
• Published: Basingstoke Nature Publishing Group 01-03-2012
• Subjects: Biological and medical sciences; Decision Making; Drug and Narcotic Control - methods; Drug Industry - methods; Drug-Related Side Effects and Adverse Reactions; Human viral diseases; Humans; Infectious diseases; Medical sciences; Models, Theoretical; Pharmacology. Drug treatments; Quantitative Structure-Activity Relationship; Risk Assessment - methods; Viral diseases; Viral diseases of the respiratory system and ent viral diseases; Performance evaluation; Human; Drug; Lung disease; Respiratory disease; Toxicity; Severe acute respiratory syndrome; Review; Modeling; Infection; Structure activity relation; Viral disease; Bibliographic review
• ISSN: 0009-9236; 1532-6535
• DOI: 10.1038/clpt.2011.300

The ability to predict clinical safety based on chemical structures is becoming an increasingly important part of regulatory decision making. (Quantitative) structure–activity relationship ((Q)SAR) models are currently used to evaluate late‐arising safety concerns and possible nonclinical effects of a drug and its related compounds when adequate safety data are absent or equivocal. Regulatory use will likely increase with the standardization of analytical approaches, more complete and reliable data collection methods, and a better understanding of toxicity mechanisms.
Clinical Pharmacology & Therapeutics (2012); 91 3, 529–534. doi:10.1038/clpt.2011.300