In the USA QSAR models are used since decades to evaluate physico-chemical, environmental, ecotoxicological, and toxicological properties. The US EPA makes available a series of QSAR models, such as EPISUITE and T.E.S.T.. Interestingly, CAESAR QSAR is also available through the web site of US EPA. Indeed, the CAESAR models, developed within an EC funded project, have been implemented in collaboration with the US EPA.
In Europe different regulations have different positions, relatively to in silico models:
- The cosmetic directive (76/768/EEC) established that by 2013 all in vivo models will be banned for testing, and many of them have been banned for cosmetics already.
- The REACH legislation (1907/2006/EC) foresees use of in silico models.
In other cases, such as plant protection products and pharmaceuticals, tests on animals have to be done, at least on the parent compound. However, some tools have been developed to study ecotoxicity of metabolites and degradation products of pesticides (more info could be find at the EC project DEMETRA) website.
A concise and accessible explanation of in silico methods and the issues around them, for people who want to know about them, and/or want to understand what the ORCHESTRA project is about. Download the leaflet
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