Workshop outcomes: REACH and QSAR: What can we learn from case studies?
the use of QSAR models is an important example of in silico methods. Quantitative Structure- Activity Relationship models correlate the properties and molecular structure of a chemical with its biological effect on human health and/or on relevant species in an ecosystem. The correlation can then be used in the prediction and assessment of new substances. QSAR / in silico methods are applicable to organic (carbon-based) compounds, not to inorganic substances.
the European regulation for the Registration, Evaluation, Authorisation and Restriction of Chemicals. It replaced nearly forty previous EU directives and regulations with a single regulation that makes manufacturers and importers responsible for registering chemicals with the European Chemicals Agency (ECHA), as well as for understanding and managing the risks associated with their use. REACH also aims to promote the use of existing data, and of alternative methods of assessment, such as QSAR methods.
the potential of a chemical substance to cause damage to humans and/or the environment.
research and routine industry testing of the effects of substances on health and the environment at different doses and concentrations, traditionally by tests on animals.
What makes a good QSAR model?
Are in silico methods / QSAR models accepted by REACH?
Why are in silico methods not yet used widely in REACH?
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