Discrimination of dynamical system models for biological and chemical processes

作者：Lorenz Soenke; Diederichs Elmar^*; Telgmann Regina; Schuette Christof

来源：Journal of Computational Chemistry, 2007, 28(8): 1384-1399.

DOI：10.1002/jcc.20674

• model discrimination
• Gauss-Newton algorithm
• biokinetics
• dynamical systems
• parameter estimation
• polymerization
• sensitivity analysis

In technical chemistry, systems biology and biotechnology, the construction of predictive models has become an essential step in process design and product optimization. Accurate modelling of the reactions requires detailed knowledge about the processes involved. However, when concerned with the development of new products and production techniques for example, this knowledge often is not available due to the lack of experimental data. Thus, when one has to work with a selection of proposed models, the main tasks of early development is to discriminate these models. In this article, a new statistical approach to model discrimination is described that ranks models wrt. the probability with which they reproduce the given data. The article introduces the new approach, discusses its statistical background, presents numerical techniques for its implementation and illustrates the application to examples from biokinetics.

• 出版日期2007-6
• 单位常州工学院