Portrait of the Research Group: PDF (english) - PDF (german)

Reaction Prediction
  Prediction of the course of an organic reaction and its products for given starting materials. More..
Synthesis Design
  In combinatorial chemistry, hundreds of thousands of reactions are run in parallel, on beads,
or simultaneously in solution. A careful planning of these reactions is therefore of paramount
importance. More..
Drug Design
  Drug design is a very large scale and expensive process. A series of programs and methods
have been developed to assist with a variety of problems to be faced in drug design. More..
Interpretation and Simulation of Mass Spectra
  With FRANZ the occurece of fragmentations and rearrangements in the mass spectrometer
can be automatically derived. With this a knowledge base of mass spectroscopic processes
can be built. More..
Acquisition of Knowledge on Reactions
  Reaction databases provide a rich source of information on organic reactions. A combination of
a Bayes classifier with a self-organizing neural network is used to group individual reactions into
reaction types. More..
Infrared and Raman Spectroscopy
  The aim of the TeleSpec project was to provide an information pool for infrared spectroscopy,
and to present sophisticated techniques for the analysis of infrared spectra. More..
Information Visualization
  We present an applet that allows an interactive and graphical data mining and visualization of
large-scale multi-dimensional datasets. More..