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QSAR Toolbox version 2.3 now available

http://www.chemnet.com   Mar 14,2012 ECHA

Version 2.3 of the OECD QSAR Toolbox for grouping chemicals into categories is now available to download. Version 2.3 contains improved functionalities for profiling and new data on metabolism and hydrolysis. It supports the Web Service implementation of IUCLID 5.3 for import and export of data.

Helsinki, 12 March 2012 - 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 analogues (1) 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

The release is part of a collaborative project between the OECD and ECHA.


(1) An analogue specifies a chemical for which read-across may be applied (see also the REACH guidance document on (Q)SARs and grouping of chemicals at http://echa.europa.eu/documents/10162/17224/information_requirements_r6_en.pdf).

Further information

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