Portrait of the Research Group: PDF
(english) - PDF
(german)
Reaction Prediction |
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Prediction of the course of an
organic reaction and its products for given
starting materials. More.. |
Synthesis Design |
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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 |
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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 |
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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 |
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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 |
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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 |
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We present an applet that
allows an interactive and graphical data mining and
visualization of
large-scale multi-dimensional datasets. More.. |