Finding relevant biotransformation routes in weighted metabolic networks using atom mapping rules
| dc.contributor.author | Blum, Torsten | |
| dc.contributor.author | Kohlbacher, Oliver | |
| dc.contributor.editor | Falter, Claudia | |
| dc.contributor.editor | Schliep, Alexander | |
| dc.contributor.editor | Selbig, Joachim | |
| dc.contributor.editor | Vingron, Martin | |
| dc.contributor.editor | Walther, Dirk | |
| dc.date.accessioned | 2019-05-15T08:32:31Z | |
| dc.date.available | 2019-05-15T08:32:31Z | |
| dc.date.issued | 2007 | |
| dc.description.abstract | Computational 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.identifier.isbn | 978-3-88579-209-3 | |
| dc.identifier.pissn | 1617-5468 | |
| dc.identifier.uri | https://dl.gi.de/handle/20.500.12116/22372 | |
| dc.language.iso | en | |
| dc.publisher | Gesellschaft für Informatik e. V. | |
| dc.relation.ispartof | German conference on bioinformatics – GCB 2007 | |
| dc.relation.ispartofseries | Lecture Notes in Informatics (LNI) - Proceedings, Volume P-115 | |
| dc.title | Finding relevant biotransformation routes in weighted metabolic networks using atom mapping rules | en |
| dc.type | Text/Conference Paper | |
| gi.citation.endPage | 44 | |
| gi.citation.publisherPlace | Bonn | |
| gi.citation.startPage | 30 | |
| gi.conference.date | September 26-28, 2007, Potsdam, | |
| gi.conference.location | Potsdam | |
| gi.conference.sessiontitle | Regular Research Papers |
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