Metabolic reconstruction using shortest paths

This paper introduces a graph-oriented representation of metabolism, and shows how to apply the shortest path algorithm to reconstruct metabolic pathways. Our metabolic model is constructed from molecular structures of compounds and reaction formulas of enzymes, and its output is all the logically possible pathways consisting of input reactions. We also show how to integrate putative reactions in the model. (C) 2000 Elsevier Science B.V. All rights reserved.