(Quantitative) Structure-Activity Relationships ((Q)SARs) are used to estimate the properties of a chemical from its molecular structure, and can help predict hazard potential. A new software package, the (Q)SAR Application Toolbox software was issued last year by the OECD (see Toxicology and Regulatory News 2008, 47(6), 90), and a guidance document has now been released to accompany the Toolbox, together with an updated version of the software (both available via http://www.oecd.org/department/0,2688,en_2649_34365_1_1_1_1_1,00.html). The guidance document specifically covers how to use the Toolbox to build chemical categories and fill data gaps in toxicity and ecotoxicity data by read-across or trend analysis according to the OECD guidance on chemical grouping.

[Organisation for Economic Co-operation and Development. OECD guidance document for using the OECD (Q)SAR Application Toolbox to develop chemical categories according to the OECD guidance on grouping of chemicals. OECD Series on Testing and Assessment No. 102, dated 24 February 2009 (available via http://www.olis.oecd.org/olis/2009doc.nsf/linkto/env-jm-mono(2009)5). For more information and access to (Q)SAR Application Toolbox version 1.1, visit http://www.oecd.org/document/23/0,3343,en_2649_34373_33957015_1_1_1_1,00.html on the OECD website.] {182356}

The above item was taken from the August 2009 issue of Toxicology and Regulatory News which is sent automatically to members of bibra (click here for more details).

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