[R] Support for compartment models / matrix exponential method

Thomas Hoffmann hoffmann at ehmgs2.et.tu-dresden.de
Mon Apr 9 14:55:49 CEST 2001


I try to fit reaction kinetic data to a given hypothetical model
consisting of 3 ODEs. After some reading in Bates/Watts and the literature
cited there (e.g. Jennrich/Bright) I looked in R for functions that support
the use of the matrix exponential method. Until now I used for a similar
(but simpler) problem the nls package and fitted against the the parameterized
solution function. But this works only for simple kinetics.

The algorithms in the nls package (e.g. SSfol) work on "closed forms" of the
solution function, too.

My question is: Are there examples or functions in R that show the usage of
the matrix exponential method or do I have to build the steps from primitive
functions myself, e.g. following the recipe in Jennrich/Bright (or is there 
even a superior method for this kind of tasks that I am not aware of)?


=============================================================================
Thomas Hoffmann, Institut fuer Halbleiter- und Mikrosystemtechnik, TU Dresden 
E-mail: hoffmann at ehmgs2.et.tu-dresden.de
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