Molecular Informatics

Automated predictive tools for medicinal chemistry teams based on in-house experience are valuable methods for improving the success rates of projects.

Interpretable QSAR and ADMET models built with Umetrics SIMCA-P software are exportable to our automated SIMCA-Q products. These are DLL program components which allow you to integrate the power of Umetrics technology into your own systems.

For more detailed information, see the application notes “Data Mining” and “A Multivariate QSAR Model for CyP450”.