Green.

By Design.

VEGA Toolkit is a powerful software platform that offers tools for evaluating the biological properties and activities of chemicals. Thanks to the Toolkit, it is possible to improve all R&D activities in the chemical, pharmaceutical and nutraceutical fields by implementing a green-by-design strategy, i.e. evaluating the environmental impact of the products under development in advance.

Features

Ensemble Workflow

Seven specific endpoints are available to assess PBT and CMR properties. They are predicted adopting the ensemble approach developed in the Janus project, each property is calculated with a workflow employing different QSAR models and provide a final assessment together with its reliability score.

Structural Alerts

They are functional groups or substructures, linked to a specific biological activity, and therefore their presence indicates possible undesirable effects. Currently available sets of alerts for carcinogenicity and endocrine disrupting activity.

Models

The predictive models available are developed with robust techniques, ensuring high statistical accuracy. Almost one hundred are currently available, for a wide range of properties: Human Toxicity (mutagenicity, carcinogenicity, developmental toxicity, activity of various receptors), Ecological Toxicity (BCF, acute and chronic toxicity on various aquatic species), Fate & Distribution (biodegradability, persistence in various matrices), Physico-chemical properties (LogP, water solubility), human and ecological PBPK.

Sustainable, simple and easy to use.

VEGA Toolkit allows to evaluate many properties in a fast and economic way (avoiding laboratory tests) by implementing a green-by-design approach. The models provide clear information to interpret the results and evaluate their reliability. The IT solutions offered allow an efficient and rapid integration into any chemoinformatics architecture, in order to be able to make batches of predictions even on very large numbers of molecules.

Greener with Vega Toolkit

Here are some clients that adopted Vega Toolkit in their processes.

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