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使用PottersWheel对生化系统进行数学建模。

Mathematical modeling of biochemical systems with PottersWheel.

作者信息

Maiwald Thomas, Eberhardt Oliver, Blumberg Julie

机构信息

Freiburg Center for Systems Biology, University of Freiburg, Freiburg, Germany.

出版信息

Methods Mol Biol. 2012;880:119-38. doi: 10.1007/978-1-61779-833-7_8.

Abstract

The program PottersWheel has been developed to provide an intuitive and yet powerful framework for data-based modeling of dynamical systems like biochemical reaction networks. Its key functionality is multi-experiment fitting, where several experimental data sets from different laboratory conditions are fitted simultaneously in order to improve the estimation of unknown model parameters, to check the validity of a given model, and to discriminate competing model hypotheses. New experiments can be designed interactively. Models are either created text-based or using a visual model designer. Dynamically generated and compiled C files provide fast simulation and fitting procedures. Each function can either be accessed using a graphical user interface or via command line, allowing for batch processing within custom Matlab scripts. PottersWheel is designed as a Matlab toolbox, comprises 250,000 lines of Matlab and C code, and is freely available for academic usage at www.potterswheel.de .

摘要

PottersWheel程序的开发旨在为基于数据的动态系统建模(如生化反应网络)提供一个直观且功能强大的框架。其关键功能是多实验拟合,即同时拟合来自不同实验室条件的多个实验数据集,以改进未知模型参数的估计、检查给定模型的有效性以及区分相互竞争的模型假设。新实验可以交互式设计。模型既可以基于文本创建,也可以使用可视化模型设计器创建。动态生成并编译的C文件提供了快速的模拟和拟合程序。每个功能既可以通过图形用户界面访问,也可以通过命令行访问,从而允许在自定义Matlab脚本中进行批处理。PottersWheel被设计为一个Matlab工具箱,包含250,000行Matlab和C代码,可在www.potterswheel.de上免费用于学术用途。

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