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Application of Iterative Robust Model-Based Optimal Experimental Design for the Calibration of Biocatalytic Models

机译:基于迭代鲁棒模型的最优实验设计在生物催化模型校准中的应用

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The aim of model calibration is to estimate unique parameter values from available experimental data, here applied to a biocatalytic process. The traditional approach of first gathering data followed by performing a model calibration is inefficient, since the information gathered during experimentation is not actively used to optimize the experimental design. By applying an iterative robust model-based optimal experimental design, the limited amount of data collected is used to design additional informative experiments. The algorithm is used here to calibrate the initial reaction rate of an x-transaminase catalyzed reaction in a more accurate way. The parameter confidence region estimated from the Fisher Information Matrix is compared with the likelihood confidence region, which is not only more accurate but also a computationally more expensive method. As a result, an important deviation between both approaches is found, confirming that linearization methods should be applied with care for nonlinear models. (C) 2017 American Institute of Chemical Engineers
机译:模型校准的目的是从这里估计可用的实验数据的独特参数值,其应用于生物催化过程。第一采集数据的传统方法,然后执行模型校准是低效的,因为在实验期间收集的信息不受积极地用于优化实验设计。通过应用基于迭代的鲁棒模型的最优实验设计,收集的有限数据用于设计额外的信息实验。这里使用该算法以更精确的方式校准X-转氨酶催化反应的初始反应速率。从Fisher信息矩阵估计的参数置信区与似然置信区的比较,这不仅更准确,而且还具有计算更昂贵的方法。结果,发现了两种方法之间的重要偏差,确认应用关心非线性模型应用线性化方法。 (c)2017美国化学工程师研究所

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