QSAR Toolbox version 2.2 now available
Media enquiries: ECHA Press
Version 2.2 of the OECD QSAR Toolbox for Grouping Chemicals into Categories is now available to download.
Helsinki, 21 July 2011 - The software helps registrants and authorities to use Quantitative Structure-Activity Relationship ((Q)SAR) methodologies to group chemicals into categories and to fill data gaps by read-across, trend analysis and to assess the (eco)toxicity hazards of chemicals under REACH. This helps to reduce costs and unnecessary testing on vertebrate animals.
The user can:
- Identify analogues1 for a chemical, retrieve experimental results available for those analogues and fill data gaps by read-across or trend analysis;
- Categorise large inventories of chemicals according to mechanisms or modes of action;
- Fill data gaps for any chemical by using the library of (Q)SAR models;
- Evaluate the robustness of a potential analogue for read-across;
- Evaluate the appropriateness of a (Q)SAR model for filling a data gap for a particular target chemical;
- Build (Q)SAR models.
Version 2.2 has improved the profiling, the software functionalities and the interface. It also contains new data on mutagenicity.
The release is part of a four-year collaborative project between the OECD and ECHA.
Free download and supporting material:
1An analogue specifies a chemical for which read-across may be applied (see also the REACH guidance document on QSARs and grouping of chemicals).