Quantitative structure-activity relationship (QSAR)
Structure-activity relationship (SAR) and quantitative structure-activity relationship (QSAR) models, collectively called (Q)SARs, are methods that can be used to predict the physicochemical, biological, and environmental fate properties of compounds from their chemical structure.
(Q)SAR approaches include a variety of computerized and non-computerized tools and approaches, whose basic principle is that toxicity is a function of chemical structure, and include QSAR and SAR, Grouping and Read-Across.
For more information, please visit:
https://www.oecd.org/env/ehs/risk-assessment/introductiontoquantitativestructureactivityrelationships.htm
https://www.oecd.org/env/ehs/risk-assessment/groupingofchemicalschemicalcategoriesandread-across.htm
OECD groups with activity related to (Q)SAR approaches are:
- OECD QSAR Toolbox Management Group
- QSAR Assessment Framework Project
- Good Computational Method Practices
QSAR methodologies can be applied within integrated approaches such as: Adverse Outcome Pathways (AOP) and Integrated approaches to testing and assessment (IATA)