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dc.contributor.authorBlum, Torsten
dc.contributor.authorKohlbacher, Oliver
dc.contributor.editorFalter, Claudia
dc.contributor.editorSchliep, Alexander
dc.contributor.editorSelbig, Joachim
dc.contributor.editorVingron, Martin
dc.contributor.editorWalther, Dirk
dc.date.accessioned2019-05-15T08:32:31Z
dc.date.available2019-05-15T08:32:31Z
dc.date.issued2007
dc.identifier.isbn978-3-88579-209-3
dc.identifier.issn1617-5468
dc.identifier.urihttp://dl.gi.de/handle/20.500.12116/22372
dc.description.abstractComputational analysis of pathways in metabolic networks has numerous applications in systems biology. While graph theory-based approaches have been pre- sented that find biotransformation routes from one metabolite to another in these net- works, 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.en
dc.language.isoen
dc.publisherGesellschaft für Informatik e. V.
dc.relation.ispartofGerman conference on bioinformatics – GCB 2007
dc.relation.ispartofseriesLecture Notes in Informatics (LNI) - Proceedings, Volume P-115
dc.titleFinding relevant biotransformation routes in weighted metabolic networks using atom mapping rulesen
dc.typeText/Conference Paper
dc.pubPlaceBonn
mci.reference.pages30-44
mci.conference.sessiontitleRegular Research Papers
mci.conference.locationPotsdam
mci.conference.dateSeptember 26-28, 2007, Potsdam,


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