In Silico Software and Resources
Many QSAR models have been developed and some are publicly available. Depending on the purpose different models should be used. For instance, for REACH certain requirements have been defined (link to above). For regulatory purposes transparency is highly preferred, in order to provide full information on the model. This also complies with the OECD principles (link). As a consequence, the user should verify if full details on the model are available. For commercial models there may be limitations.
These are some examples of publicly available models developed within the EC projects evaluated within ORCHESTRA.
CAESAR is an EC funded project specifically dedicated to develop QSAR models (link a pagina Caesar) for the REACH legislation (link a pagina reach). Learn more
DEMETRA developed QSAR models for ecotoxicology, specific for pesticides and related compounds. Learn more
Using the VEGA platform, you can access a series of QSAR (quantitative structure-activity relationship) models for regulatory purposes, or develop your own model for research purposes. Learn more
Several platforms of QSAR models exist. The ANTARES project lists hundreds of QSAR models, tens of them are freely available.
Some well known platforms are:
VEGA: The ORCHESTRA project, with ANTARES, has developed the VEGA platform, which incorporates CAESAR and T.E.S.T. models into a single framework. An advantage of the VEGA platform is the facilitated and supported user-access: supporting information, tutorials and videos are all available on the web site. It has been developed from the point of view of the user, and of the REACH requirements. Each model produces not only a predicted value, but also many pages of explanation and assessment of its reliability.
- About Orchestra
- About In-silico
- Why use in-silico?
- News & Activities
- Get Involved