Gesellschaft für Informatik e.V.

Lecture Notes in Informatics

German Conference on Bioinformatics GCB 2007 September 26 - 28, 2007, Potsdam, Germany P-115, 30-44 (2007).

Gesellschaft für Informatik, Bonn


Claudia Falter (ed.), Alexander Schliep (ed.), Joachim Selbig (ed.), Martin Vingron (ed.), Dirk Walther (ed.)

Copyright © Gesellschaft für Informatik, Bonn


Finding relevant biotransformation routes in weighted metabolic networks

Torsten Blum and Oliver Kohlbacher


Computational analysis of pathways in metabolic networks has numerous applications in systems biology. While graph theory-based approaches have been presented that find biotransformation routes from one metabolite to another in these networks, most of these approaches suffer from finding too many routes, most of which are biologically infeasible or meaningless. We present a novel approach for finding relevant routes based on atom mapping rules (describing which educt atoms are mapped onto which product atoms in a chemical reaction). This leads to a reformulation of the problem as a lightest path search in a degree-weighted metabolic network. A key component of the approach is a new method of computing optimal atom mapping rules.

Full Text: PDF

Gesellschaft für Informatik, Bonn
ISBN 978-3-88579-209-3

Last changed 04.10.2013 18:15:24