The implementation of RAAF in the OECD QSAR Toolbox

• Published in: Regulatory toxicology and pharmacology 2019-07, Vol.105, p.51-61
• Main Authors: Kuseva, Chanita, Schultz, Terry W., Yordanova, Darina, Tankova, Ksenia, Kutsarova, Stela, Pavlov, Todor, Chapkanov, Atanas, Georgiev, Marin, Gissi, Andrea, Sobanski, Tomasz, Mekenyan, Ovanes G.
• Format: Article
• Language: English
• Subjects: Assessment elements; Category elements uncertainty; OECD QSAR toolbox; RAAF; Read-across
• ISSN: 0273-2300; 1096-0295
• DOI: 10.1016/j.yrtph.2019.03.018

The Read-Across Assessment Framework (RAAF) was developed by the European Chemicals Agency (ECHA) as an internal tool providing a framework for a consistent, structured and transparent assessment of grouping of chemicals and read-across. Following a RAAF-based evaluation, also developers and users of read-across predictions outside ECHA can judge whether their read-across rationale is sufficiently robust from a regulatory perspective. The aim of this paper is to describe the implementation of RAAF functionalities in the OECD QSAR Toolbox report. These can be activated in the prediction report after performing a readacross prediction. Once the user manually selects the appropriate scenario, the RAAF assessment elements appear and are automatically aligned with the suitable category elements of the Toolbox report. Subsequently, these are evaluated as part of the category consistency assessment functionality. The implementation of the RAAF functionality is illustrated in practice with two examples. •ECHA RAAF functionality was implemented into the OECD QSAR Toolbox to address uncertainties in read-across predictions.•With a wizard dialogue the user is directed through the assessment elements of selected RAAF scenario.•A key feature is the linkage of the Toolbox category elements and the scenario-specific assessment elements of the RAAF.•The operation of the RAAF module in the Toolbox via a report wizard is demonstrated with two examples.