From: Arora, Ricky (Ricky.Arora$##$icn.siemens.com)
Date: Thu Nov 13 2003 - 14:19:45 EST
Hi All,
I would like all of you to familiarize with a new database system for
complex carbohydrates. The database system is called I-ChemiSt -
"Intelligent Chemical Structural Database System". The system presently
consists of spectra of monosaccharides, the GC-EIM spectra of Partially
Methylated Alditol Acetates(PMAA) of Complex Carbohydrates
(polysaccharides). The system consist of a search engine and interface for
spectra viewing.
In future, the database would also hold the NMR data of these
polysaccharides.
We are also in the process of devising an automated identification system
for the PMAA's of the Complex carbohydrates. So basically, given the
spectral data, the system can identify the molecule based on the structure
to one of the groups like - Fucpyranosyl , GalNacPyranosyl etc. This system
would be using pattern recognition and data-mining and would be based on
complex technologies like Neural Networks etc.
Last but not the least, the system has been built as a web-service, so
basically the system can be integrated into a larger system which will
require search / identification of these molecules.
The URL for the system is http://zal.sdsu.edu/i-chemist/
<http://zal.sdsu.edu/i-chemist/> .
Please contact me if you any questions / suggestion. Spectra submissions are
welcome and can be donw by emailing me.
Thanks.
Best Regards,
Ricky Arora
*************************
Ricky Arora,
Graduate Student,
Department of Computer Science,
San Diego State University,
San Diego, CA 92115
arora@ <mailto:arora$##$rohan.sdsu.edu> rohan.sdsu.edu
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