title: Estimation of kinetic parameters in an S-system equation model for a metabolic reaction system using the Newton-Raphson method.
abstract: Metabolic reaction systems can be modeled easily in terms of S-system type equations if their metabolic maps are available. This study therefore proposes a method for estimating parameters in decoupled S-system equations on the basis of the Newton-Raphson method and elucidates the performance of this estimation method. Parameter estimation from the time-course data of metabolite concentrations reveals that the parameters estimated are highly accurate, indicating that the estimation algorithm has been constructed correctly. The number of iterations is small and the calculation converges in a very short time (usually less than 1s). The method is also applied to time course data with noise and found to estimate parameters efficiently. Results indicate that the present method has the potential to be extended to a method for estimating parameters in large-scale metabolic reaction systems.
authors.affiliation: Section of Bio-process Design, Department of Bioscience and Biotechnology, Graduate School of Bioresource and Bioenvironmental Sciences, Kyushu University, 6-10-1, Hakozaki, Higashi-Ku, Fukuoka 820-8581, Japan.
authors.forename: Michio
authors.initials: M
authors.lastname: Iwata
authors.affiliation: RIKEN Center for Sustainable Resource Science, Yokohama, Kanagawa 230-0045, Japan; JST, CREST, Kawaguchi, Saitama 332-0012, Japan.
authors.forename: Kansuporn
authors.initials: K
authors.lastname: Sriyudthsak
authors.affiliation: RIKEN Center for Sustainable Resource Science, Yokohama, Kanagawa 230-0045, Japan; JST, CREST, Kawaguchi, Saitama 332-0012, Japan.
authors.forename: Masami Yokota
authors.initials: MY
authors.lastname: Hirai
authors.affiliation: Section of Bio-process Design, Department of Bioscience and Biotechnology, Graduate School of Bioresource and Bioenvironmental Sciences, Kyushu University, 6-10-1, Hakozaki, Higashi-Ku, Fukuoka 820-8581, Japan. Electronic address: fumishira@brs.kyushu-u.ac.jp.
authors.forename: Fumihide
authors.initials: F
authors.lastname: Shiraishi
mesh_terms: D000465:Algorithms; D056808:Biostatistics; D007700:Kinetics; D016014:Linear Models; D055641:Mathematical Concepts; D053858:Metabolic Networks and Pathways; D055442:Metabolome; D008954:Models, Biological; D049490:Systems Biology
keywords: Biochemical systems theory; Newton–Raphson method; Parameter estimation; Time course data