Blum, TorstenKohlbacher, OliverFalter, ClaudiaSchliep, AlexanderSelbig, JoachimVingron, MartinWalther, Dirk2019-05-152019-05-152007978-3-88579-209-3https://dl.gi.de/handle/20.500.12116/22372Computational 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.enText/Conference Paper1617-5468