(Q)SAR Methods for Predicting Genotoxicity and Carcinogenicity: Scientific Rationale and Regulatory Frameworks

Area of Science:

• Toxicology
• Regulatory Science
• Computational Chemistry

Background:

• Genotoxicity and carcinogenicity assessments are crucial for protecting human health.
• These assessments are fundamental components of national and international regulations for chemical substances.
• Genotoxicity testing serves as a prescreening method for carcinogenicity.

Purpose of the Study:

• To introduce the rationale behind quantitative structure-activity relationship ((Q)SAR) approaches.
• To detail significant regulatory initiatives and frameworks related to chemical safety assessment.
• To highlight the interplay between regulatory needs and the development of predictive toxicology tools.

Main Methods:

• Review of structure-activity relationship ((Q)SAR) approaches.
• Analysis of regulatory frameworks and initiatives.
• Discussion of in vitro assays and their combination with (Q)SAR models.

Main Results:

• Regulatory frameworks necessitate and stimulate the development of advanced predictive tools.
• The advancement of predictive tools enables regulators to refine requirements for enhanced human health defense.
• (Q)SAR approaches are increasingly used, often in conjunction with in vitro assays, for predictive purposes.

Conclusions:

• The development of predictive tools, particularly (Q)SAR, is driven by regulatory demands.
• These tools are essential for efficient genotoxicity and carcinogenicity assessment.
• Improved predictive capabilities enhance the regulatory defense of human health against chemical risks.