Announced in a recent ECHA News Alert, version 3.0 of the OECD QSAR Toolbox is now available. This uses (quantitative) structure activity relationships to estimate the properties of a chemical from its molecular structure to help fill toxicity and ecotoxicity data gaps in chemical hazard assessments. Recent additions since the previous version (2.3) include:

  • IUCLID 5.4 compatibility
  • additional data sources (including study results from the REACH dissemination website)
  • additional profiling schemes and (Q)SAR models
  • quantitative mixtures toxicity prediction

Organisation for Economic Co-operation and Development (2012). QSAR Toolbox (version 3.0).

http://echa.europa.eu/view-article/-/journal_content/fdf29022-114e-4771-83e8-99b0130c7bfe (ECHA press release, ECHA/NA/12/49)

 

The above item was taken from the December 2012 issue of Toxicology and Regulatory News which is sent automatically to members of bibra (click here for more details).