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Support for the use of computer-based predictions like quantitative structure-activity relationships (QSAR methods) to avoid animal testing under REACH

: Escher, Sylvia; Batke, Monika; Arning, Jürgen; Brandt, Marc; Kupper, Jürgen; Eifert, Harald; Wibbertmann, Axel


Naunyn-Schmiedebergs archives of pharmacology 388 (2015), Supplement 1, pp.S90, Abstract 363
ISSN: 0028-1298
ISSN: 1432-1912
Deutsche Gesellschaft für Experimentelle und Klinische Pharmakologie und Toxikologie (Annual Meeting) <81, 2015, Kiel>
Fraunhofer ITEM ()

The use of alternative methods in risk assessment is requested in different regulatory areas, e.g. REACH Annex XI, in order to minimise animal testing and optimise the use of existing knowledge.
The experiences of the regulatory processes reveal that QSAR models are used only rarely for selected endpoints. Alternatives like read across or weight of evidence are thus used more often. The application of alternative approaches in dossiers does not necessarily imply their acceptance by regulatory bodies.
Within this project especially small and medium size enterprises (SME) shall be encouraged to use QSAR methods within their registration dossiers e.g. for REACH. The aim is to achieve a broader use and better documentation of QSAR resulting in an increased acceptance by regulatory bodies.
Therefore two international workshops will be held (summer 2015 and spring 2016), inviting users, developers and representatives of regulatory agencies. These workshops will address the use of QSAR models within REACH to predict (eco)toxicity properties of chemicals. As it has been shown that the availability of models is not the bottle neck, within the workshops strategies for a professional use of QSAR models will be developed to facilitate:
* Evaluation of quality, relevance and reliability of a model by the user
* Criteria for a scientific reasoning on the modelled data
* Reasonable, transparent and efficient documentation of models and respective predictions
The outcome of this project will be summarised in a pragmatic guidance document for small and medium enterprises. By doing this the quality of the QSAR use within registration dossiers will enhance and consequently the acceptance of predictions by regulatory bodies will increase.
In preparation of the workshops the status quo for the use of alternative methods is assessed by summarising published data and opinions as well as by collecting experiences from different users (experts, practitioners, experienced beginners) by questionnaires. These results as well as details on the workshop program will be presented to invite further participants.
UBA Projekt: FKZ 3714674130