Using multiple QSAR models for screening or regulatory purposes is of paramount importance. Very often industry, regulators and researchers have their own chemoinformatic frameworks, with complex architecture and, indeed, QSAR stand-alone tools are left out of automated flows, or their inclusion is quite demanding.
We provide an answer to this issue, making available different solutions to let you use and integrate VEGA models in your workflows:
- VEGA REST API: a comprehensive set of Application Programming Interface (API) to be used via a REST interface, so that all VEGA QSAR models can be run in component-based architectures, both locally and in a network. The REST API engine is provided as a Docker container making its installation effortless. With this solution, all models can be easily used with a request containing the target molecule, getting back the full results for the desired models.
- VEGA CLI: the Command Line Interface (CLI) enables the possibility of fast batch processing of large datasets of compounds. The output, provided as plain text files or JSON files, can be easily processed or directly integrated in automated workflows.
Benefits:
- Streamline multiple models integration
- Platform independent
- Speed-up calculations
We constantly work on new solutions and updates, contact us to share your needs, we will be happy to work with you and develop the tailored solution for you.
Software Type
Customized solution for your specific architecture