5 Replies Latest reply on Jan 4, 2012 11:59 AM by Geoffrey Hynes

    Applicability of QSAR Toolbox to IUCLID?

    New User

      Can I use the toxicity data generated from QSAR Toolbox for REACH purpose in IUCLID? If yes, then how? what fields I need to mention in IUCLID?

        • Re: Applicability of QSAR Toolbox to IUCLID?
          415881 New User

          Dear 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,


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