We present BSTModelKit.jl, an open-source Julia package for constructing, solving, and analyzing Biochemical Systems Theory (BST) models of biochemical networks. The package implements S-system representations, a canonical power-law formalism for modeling metabolic and regulatory networks. BSTModelKit.jl provides a declarative model specification format, dynamic simulation via ordinary differential equation (ODE) integration, steady-state computation, and global sensitivity analysis using the Morris and Sobol methods. The package leverages the Julia scientific computing ecosystem, in particular the SciML suite of differential equation solvers, to provide efficient and flexible model analysis tools. We describe the mathematical formulation, software design, and demonstrate the package capabilities with illustrative examples.
翻译:我们提出了BSTModelKit.jl,这是一个用于构建、求解和分析生化网络生化系统理论(BST)模型的开源Julia软件包。该软件包实现了S系统表示法,这是一种用于建模代谢和调控网络的典型幂律形式体系。BSTModelKit.jl提供了声明式模型规范格式、通过常微分方程(ODE)积分进行动态模拟、稳态计算以及使用Morris和Sobol方法进行全局敏感性分析。该软件包利用Julia科学计算生态系统,特别是SciML微分方程求解器套件,以提供高效且灵活的模型分析工具。我们描述了数学公式、软件设计,并通过示例展示了该软件包的功能。