FORECASTER Platform

We are developing a platform - FORECASTER - that includes our unique and highly accurate programs for drug discovery. This platform includes FITTED and IMPACTS but also a number of other tools. For a complete list and more information, visit the Molecular Forecaster website

FITTED

A docking based virtual-screening tool for the prediction of binding affinities and poses. By considering a more accurate protein model by including protein and water flexiblity, FITTED 3.0 can extract true active compounds while reducing the amount of false positives and negatives.

IMPACTS

A program for the prediction of the sites of metabolism (SOM) of drugs in CYP P450 proteins based on docking and transition states.

VIRTUAL CHEMIST platform

A We have also currently developing a platform - VIRTUAL CHEMIST - for the developpment of asymmetric catalysts. This platform includes ACE, FINDERS and REACT2D. For a complete list and more information, visit the Molecular Forecaster website

ACE

A virtual screening tool for the developpment of asymmetric catalysts.

H-TEQ

We are currently developing a set of programs to derive torsion parameters for molecular mechanics of small molecules named H-TEQ.

Obtaining the software

The software is available for distribution through the Molecular Forecaster website.