The CAESAR and VEGA platforms have been produced from EC-funded research, and are therefore freely available for use. The software can be downloaded. Furthermore, predicted values for more than four million chemicals will be made freely available.
ECHA does not intend to produce a list of ‘approved’ models, because the value of a model depends on how it is used. (See FAQ: ‘What makes a good QSAR model?’) Every user of QSARs needs to be aware that QSAR models are only appropriate and reliable for specific sets of chemicals. A highly reliable model will not produce reliable results for chemicals that lie outside the domain of applicability. In addition, models may be suitable for different regulatory functions: risk assessment, classification and labelling or prioritisation, because each makes different demands on the model.
QSAR models (sometimes called in silico models) are one important and sophisticated example of in silico methods. Like other in silico methods, they are used to predict the properties of chemicals, including the potential toxicity of chemicals in the body and the environment.
The development of new tools towards a better exploitation of non-testing methods for regulatory purposes.
Alessandra Roncaglioni, Manganaro, A., Gonella Diaza, R., Lombardo, A., Petoumenou, M., Benfenati, E. (27 mins)