A Binary Classifier for Prediction of the Types of Metabolic Pathway of Chemicals

Background: The study of metabolic pathway is one of the most important fields in biochemistry. Good comprehension of the metabolic pathway system is helpful to uncover the mechanism of some fundamental biological processes. Because chemicals are part of the main components of the metabolic pathway, correct identification of which metabolic pathways a given chemical can participate in is an important step for understanding the metabolic pathway system. Most previous methods only considered the chemical information, which tried to deal with a multilabel classification problem of assigning chemicals to proper metabolic pathways. Keywords: Metabolic pathway, chemical-chemical interaction, bipartite graph, chemical-chemical interaction, Kuhn-Munkres algorithm, protein-protein interaction, support vector machine.