Practical Guide 5: How to report (Q)SARs - ECHA - Europa

3. QUESTIONS ON HOW TO APPLY AND REPORT
(Q)SAR UNDER REACH
3.1. Which Guidance documents should I read?
A four pages summary on how to use non-testing data obtained by applying (Q)SARs is
available in the Guidance on information requirements and chemical safety assessment
in:
Chapter R.4: Evaluation of available Information:
R.4.3.2.1 (Q)SAR data
A dedicated part on computational methodologies is available in the Guidance on
information requirements and chemical safety assessment in
Chapter R.6: (Q)SARs and grouping of chemicals:
R.6.1 Guidance on (Q)SARs
Relevant tools and approaches for the endpoint(s) of interest are offered by each
endpoint specific guidance document included in the Guidance on information
requirements and chemical safety assessment in:
Chapter R.7: Endpoint specific Guidance.
Information on the use of non-testing degradation and bioaccumulation data for
persistent, bioaccumulative and toxic (PBT) chemicals is accessible from the Guidance
on information requirements and chemical safety assessment in:
3.2. Is the (Q)SAR model valid?
Chapter R.11: PBT Assessment.
The validity of (Q)SAR models for regulatory purposes is characterised and documented
according to the five agreed OECD principles, as described in the REACH guidance
R.6.1 Guidance on (Q)SARs:
1. The (Q)SAR model should be associated with a defined endpoint.
2. The (Q)SAR model should be expressed in form of an unambiguous algorithm.
3. The (Q)SAR model should be associated with a defined domain of applicability.
4. The (Q)SAR model should be associated with appropriate performance of the
model (the statistical “goodness” of the model, robustness and predictivity).
5. The (Q)SAR model should be associated with a mechanistic interpretation for
human health and ecotoxicological endpoints, if possible.
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