Cravo Fabricio, Prakash Gayathri, Függer Matthias, Nowak Thomas
Université Paris-Saclay, CNRS, ENS Paris-Saclay, LMF, Gif-sur-Yvette, France.
Université Paris-Saclay, CNRS, LISN, Gif-sur-Yvette, France.
PLoS Comput Biol. 2025 May 19;21(5):e1013024. doi: 10.1371/journal.pcbi.1013024. eCollection 2025 May.
Biochemical Reaction Networks (BCRNs) model species and their interactions via reactions. They have been extensively used in chemistry and extended to biological settings by generalizing the reactions' kinetics. However, detailed models of biochemical processes tend to result in complex BCRN models. We present the Meta-species Oriented Biosystem Syntax (MobsPy), a language designed to simplify the modeling process using the concept of meta-species. Meta-species are constructed using a bottom-up approach from base species, which represent elementary, simple characteristics. These characteristics are then combined to create meta-species with all their complex behavior. The combined species have characteristics that are the Cartesian product of the base species' characteristics and feature inheritance of reactions involving the base species. New reactions can involve all the states of a meta-species or only a subset that is selected via a query. In particular, reactions of meta-species can express a state change of one of the reactants. MobsPy is deployed as a Python package. We showcase its modeling capabilities by building concise models for biochemical systems from the literature.
生化反应网络(BCRNs)通过反应对物种及其相互作用进行建模。它们在化学领域已被广泛应用,并通过对反应动力学进行推广而扩展到生物环境中。然而,生化过程的详细模型往往会导致复杂的BCRN模型。我们提出了面向元物种的生物系统语法(MobsPy),这是一种旨在利用元物种概念简化建模过程的语言。元物种是使用自底向上的方法从基础物种构建的,基础物种代表基本的、简单的特征。然后将这些特征组合起来,以创建具有所有复杂行为的元物种。组合后的物种具有的特征是基础物种特征的笛卡尔积,并具有涉及基础物种的反应的特征继承。新反应可以涉及元物种的所有状态,也可以只涉及通过查询选择的一个子集。特别地,元物种的反应可以表达其中一种反应物的状态变化。MobsPy作为一个Python包进行部署。我们通过为文献中的生化系统构建简洁模型来展示其建模能力。