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Validation of metabolic pathway databases based on chemical substructure search

Paper ID Volume ID Publish Year Pages File Format Full-Text
14156 1177 2007 9 PDF Available
Title
Validation of metabolic pathway databases based on chemical substructure search
Abstract

Metabolic pathway databases such as KEGG contain information on thousands of biochemical reactions drawn from the biomedical literature. Ensuring consistency of such large metabolic pathways is essential to their proper use. In this paper, we present a new method to determine consistency of an important class of biochemical reactions. Our method exploits the knowledge of the atomic rearrangement pattern in biochemical reactions, to reduce the automatic atom mapping problem to a series of chemical substructure searches between the substrate and the product of a biochemical reaction. As an illustrative application, we describe the exhaustive validation of a substantial portion from the latest release of the KEGG LIGAND database.

Keywords
Metabolic pathway; Biochemical reaction; Consistency; Classification; Atom mapping; KEGG; LIGAND; Validation
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Validation of metabolic pathway databases based on chemical substructure search
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Publisher
Database: Elsevier - ScienceDirect
Journal: Biomolecular Engineering - Volume 24, Issue 3, September 2007, Pages 327–335
Authors
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Subjects
Physical Sciences and Engineering Chemical Engineering Bioengineering
Get Full-Text Now
Don't Miss Today's Special Offer
Price was $35.95
You save - $31
Price after discount Only $4.95
100% Money Back Guarantee
Full-text PDF Download
Online Support
Any Questions? feel free to contact us