In the How to Use section you can now find available video tutorials explaining the use and the functionalites of VEGA platform for QSAR predictions and read-across.
Using the VEGA platform, you can access a series of QSAR (quantitative structure-activity relationship) models which have been checked and optimized for their use for regulatory purposes. The results from the models are supplied with information about the reliability (applicability domain assessment) and reasoning.
QSAR models can be used to predict the property of a chemical compound, using information obtained from its structure. The QSAR models are freely available for regulatory purposes and have been optimised in accordance with the REACH requirements.
We checked the scientific validity of the models and details are given in the page of the specific model. Furthermore, the models provide the user with access to a series of features that are important for regulatory purposes:
- Evaluation of the applicability domain, with an explanation
- Identification of the possible regulatory uses of the result produced
- Understanding of the rules and mechanisms behind the model
- All models, including the software to calculate chemical descriptors and the model algorithm are freely available
The VEGA platform can also be used for read-across evaluations. We developed a series of tools for read-across based on different reproducible methods. The information includes:
- Chemometric measurements based on three groups of chemical characteristics
- Experimental values from high quality data for similar compounds, based on chemometric measurements
- Experimental values from high quality data for similar compounds, based on the occurrence of certain mechanism-related fragments
- The role and influence of the main chemical descriptors