BioEpisteme®

BioEpisteme® is a QSAR program based on well-defined molecular descriptors. Known for the accuracy of its proprietary Mechanism of Action model (MoA), the program also facilitates the creation of a wide variety of predictive models that link chemical structures to biological responses or adverse effects, or to ADME profiles. These models are interrelated, each having been designed in the context of the others. BioEpisteme® is organized into two main modules: a data prediction module and a model-building module.

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Model Builder

BioEpisteme® and Prous Institute's SYMMETRY® offer comprehensive and structured model building environments to build qualitative and quantitative models, according to the characteristics of the selected endpoint. The Model Builder uses an array of correlation methods and a choice of molecular descriptors, fragments and fingerprints. The Model Builder tool is shared with Prous Institute's collaborators in research areas such as new mechanisms of action, off-target activity, new indication discovery and endpoints of interest in discovery toxicology.

BioMFIS® and BioDatis®

BioMFIS® and BioDatis® are molecular recognition programs complementary to BioEpisteme® which provide a different concept and technical approach to the prediction of mechanisms of action, therapeutic indications and adverse effects of SMEs. BioMFIS® enables the creation of 3D models for more accurate predictions.

BioFAS®

Small molecules are based on scaffolds and fragments that are essential to their biological and toxic effects. With BioFAS® new compounds can be generated using structure-based scaffold approaches. Libraries of scaffolds are provided for each mechanism of action in PSMEL®.

The libraries of scaffolds are enriched with those derived from compounds that we have synthesized and tested experimentally at Prous Institute.