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Metabolic Simulation and informatics

Mike Cantor mcantor at SMI.Stanford.EDU
Tue Dec 12 17:46:31 EST 2000


Hi folks,

I am a grad student at Stanford in Biomedical Informatics, working in Peter 
Karp's lab at SRI.  I am currently writing a review on modeling methods in 
metabolism, including kinetic simulations, MCA, etc.  I have just come 
across this newsgroup and have been fascinated by following the 
discussions, and reading the colorful opinions of people whose work I have 
been pouring over in the last few months.  I'd like to humbly submit a few 
questions that I would *love* to hear the subscribers of this group to 
weigh in on.

Before I ask my questions, I want to quickly mention the motivation for 
this paper.  Peter and I began an exploration this summer into the idea of 
storing kinetic information in Ecocyc so that people could automatically 
generate kinetic models from the knowledge-base.  Our underlying mistaken 
assumption, though it took us a few months to figure it out, was that 
kinetics was like genomics -- one community of people was busy spewing out 
volumes of reliable data for public consumption, while another set of 
people was trying to intergrate all this information from big databases to 
build models.  One of the main goals of writing this paper from my point of 
view, besides describing the state of the art, is to educate the 
bioinformatics community about how the field of kinetic modeling really works

So on to my questions.  I would be thrilled to hear opinions on any or all 
of these.  Of course, I don't want to tunnel people's responses through my 
own peculiar articulations of the questions, so if anyone has any advice 
they want to offer about a really important paper, or contribution of 
metabolic modeling, or issue in the field that should be communicated to 
the world of bioinformatics, please, spout away...

1. There have been many approaches to metabolic modeling.  Kinetic 
simulation and MCA seam to be the most widely used, but I have also seen 
papers on the use of , e.g. Discrete event based models, Petrinets, 
Tendency Modeling, etc. What do you see particularly promising (or not 
promising) techniques for generating what types of insights about metabolism.

2. What are the prospects for larger-scale modeling projects like the 
NIGMS's projected 25$ glue grant for a "Virtual Cell."  Is this a naive and 
premature waste of money, or will it be a fountain of knowledge.

3. What is the relation between metabolic modeling and informatics?  What 
if anything can the field of metabolic modeling gain from the genomics 
explosion?

4. What is really the role of all of the metabolic simulation software 
packages I see out there, such as Gepasi, SCAMP, Mist, DBSolve, Kinsim, 
SCOP, etc.  Are these widely used?  What factors have led to their adoption?

Thanks so much to anyone who replies to this posting.  I have really 
enjoying reading the work of many of the subscribers of this list.

Cheers,
Mike Cantor


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