META Ultra

A simple yet powerful program for metabolite prediction and toxicity screening

Licensing Options
InterfaceSOM PredictionDatabase SupportBatch ProcessingToxicity ScreeningReports

Easy to Use and Simple Interface

META Ultra is the simplest metabolism prediction software on the planet. Yet, it packs sophisticated machine learning algorithms and database support for predicting xenobiotic metabolites in humans and other species. Processing your query chemicals is practically effortless.

Sites of Metabolism Prediction As You Draw

META Ultra dynamically predicts and displays potential sites of metabolism (SOMs) as you draw or edit a structure in the Molecule Drawer. Color density represents the metabolic reactivity of atoms. This is a powerful tool to give you an intuition on blocking or allowing metabolism at certain positions on a molecule.

Database Support

META Ultra predictions are supplemented and enhanced by a database of known metabolites of drugs and chemicals. The database contains ~17000 known metabolic transformations annotated with enzyme, organs, yields, reaction types and literature references.

Batch Processing

You can process thousands of query chemicals in matter of minutes using META Ultra and predict their metabolites. It is also extremely easy to browse through the results of a batch mode prediction. Every chemical is displayed as an intuitive metabolite tree.

Screen Metabolites for Toxicity

In order to assist in toxicity assessment of drugs and chemicals, META Ultra is seamlessly integrated with CASE Ultra models. Any of the many CASE Ultra models can be used for this purpose. This will immediately give you the ability to screen metabolites against a variety of toxicity end points.

Create Informative Reports

META Ultra prediction results can be exported to Excel and SD File reports for the purpose of record keeping or using in other software. An easy to use wizard helps you in this regard. Both batch mode and single chemical results can be exported along with their calculated physicochemical descriptors, toxicity screening results and metabolite tree.