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Re: Applicability of QSAR Toolbox to IUCLID?
1 of 1 people found this helpfulDear Pawan,
One of the first steps in preparing a registration dossier to be submitted under REACH, as described in Annex VI of the Regulation, is to collect all available and relevant information. In the Annexes VII to X of the REACH regulation it is stated that “Before new tests are carried out to fulfil the information requirements, all available in vitro, in vivo data, historical human data, data from valid (Q)SARs and data from structurally related substances (read-across approach) shall be assessed first”.
With regard to the use of non-test data, Article 13(1) of REACH also provides that “Information on intrinsic properties of substances may be generated by means other than tests, provided that the conditions set out in Annex XI are met.” This provision acknowledges the generation of information by other, non-test methods including QSAR models and read-across and grouping approaches and gives the registrant discretion as to what extent this is feasible to fulfil the information requirements.
The (Q)SAR Application Toolbox can be a very powerful tool to identify similar chemicals, to group them in a meaningful way and to use available data in the category for data gap filling.
ECHA has recently published Practical Guides to provide registrants with further technical guidance on the preparation of registration dossiers in IUCLID. After using non-test methods for fulfilling information requirements under REACH either as stand alone information or as part of a weight of evidence approach, the results have to be reported in IUCLID 5.2. The following guidance documents provide the necessary information on the use and reporting of information generated with non-test approaches for the purpose of registrations under REACH:
1. ‘Guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals’ which is accessible from ECHA’s website at: http://guidance.echa.europa.eu/docs/guidance_document/information_requirements_r6_en.pdf?vers=20_08_08
2. Practical guide “How to report read-across and categories” available on ECHA website at: http://echa.europa.eu/doc/publications/practical_guides/pg_report_readacross_categ.pdf
3. The Data Submission Manual on “How to complete a technical dossier for registrations and PPORD notifications” provides useful practical information on how to prepare a complete technical IUCLID dossier for registering a substance under REACH: http://echa.europa.eu/doc/reachit/compl_tech_dossier_manual.pdf
best regards,
Doris
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Re: Applicability of QSAR Toolbox to IUCLID?
Dear Doris,
Many thanks for your response. its really very helpful. I am still not very clear how rating (1,2,3 or 4) is given to a particular report generated from QSAR Toolbox. Is it decided on the basis of whether it suffices the five principles of OECD for QSAR?
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Re: Applicability of QSAR Toolbox to IUCLID?
1 of 1 people found this helpfulThe Klimisch Codes is a scoring system to assess the reliability of data. The general criteria how to assign a Klimisch score to a study for REACH purposes are described in detail in the "Guidance on Information Requirements and Chemical Saftey Assessment" chapter R4 "Evaluation of available information". http://guidance.echa.europa.eu/docs/guidance_document/information_requirements_r4_en.pdf?vers=20_08_08 The system was designed for experimental data, and there is no particular guidance for assigning reliability scores for predictions under REACH. You may want to consider that there are uncertainties inherent to any prediction - using the grouping approach with the QSAR Application Toolbox or QSAR models. This could be reflected in not assigning a Klimish code of 1, but rather 2,3 or 4. However, if the prediction is used for the purposes of risk assessment the uncertainty can be dealt with additional assessment factors when deriving threshold levels e.g. DNELs.
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Re: Applicability of QSAR Toolbox to IUCLID?
Thanks a lot Doris for your valuable response and time !!!
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Applicability of QSAR Toolbox to IUCLID?
Hi,
I was under the impression that [Q]SAR predictions were assessed as Klimisch 2 for well developed [Q]SAR profiles such as for the Phys Chem profilers. For the higher tier tests such as Developmental Tox where the prefilers are not sufficiently complete due to the complexity of the test system, a Klimisch 4 score would be given. This would then all be justified in the IUCLID summary sections.
Geoff...
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