Assessment of chemicals

Validation of (Q)SAR Models


Although a variety of (Q)SAR models have been developed, and some models have been used in assessment of chemicals in some countries for many years, transparent validation process and objective determination of the reliability of (Q)SAR models are crucial in order to further enhance the regulatory acceptance of (Q)SAR models.


In November 2004, the OECD member countries agreed on the principles for validating (Q)SAR models for their use in regulatory assessment of chemical safety.  The agreed principles provide member countries with basis for evaluating regulatory applicability of (Q)SAR models and will contribute to their enhanced use for more efficient assessment of chemical safety.


OECD principles for the Varidation, for Regulatory Purpose, of (Q)SAR Models


A full report from the OECD Expert Group on (Q)SARs was also published in 2004:


The report from the Expert Group on (Q)SARs on the validation of (Q)SARs 


In February 2007, the OECD published a "Guidance Document on the Validation of (Q)SAR Models" with the aim of providing guidance on how specific (Q)SAR models can be evaluated with respect to the OECD principles. A checklist for the validation, a reporting format for the validation and validation case studies are attached as annexes:


Guidance Document on the Validation of (Q)SAR Models






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