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Identifying frequent patterns in biochemical reaction networks: a workflow

机译:识别生化反应网络中的常见模式:工作流程

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摘要

Computational models in biology encode molecular and cell biological processes. Many of these models can be represented as biochemical reaction networks. Studying such networks, one is mostly interested in systems that share similar reactions and mechanisms. Typical goals of an investigation thus include understanding of model parts, identification of reoccurring patterns and recognition of biologically relevant motifs. The large number and size of available models, however, require automated methods to support researchers in achieving their goals. Specifically for the problem of finding patterns in large networks only partial solutions exist. We propose a workflow that identifies frequent structural patterns in biochemical reaction networks encoded in the Systems Biology Markup Language. The workflow utilizes a subgraph mining algorithm to detect the network patterns. Once patterns are identified, the textual pattern description can automatically be converted into a graphical representation. Furthermore, information about the distribution of patterns among a selected set of models can be retrieved. The workflow was validated with 575 models from the curated branch of BioModels. In this paper, we highlight interesting and frequent structural patterns. Furthermore, we provide exemplary patterns that incorporate terms from the Systems Biology Ontology. Our workflow can be applied to a custom set of models or to models already existing in our graph database MaSyMoS. The occurrences of frequent patterns may give insight into the encoding of central biological processes, evaluate postulated biological motifs or serve as a similarity measure for models that share common structures.Database URL:
机译:生物学中的计算模型编码分子和细胞生物学过程。这些模型中的许多可以表示为生化反应网络。在研究这样的网络时,人们最感兴趣的是共享相似反应和机制的系统。因此,调查的典型目标包括对模型部分的了解,重复模式的识别以及生物学相关主题的识别。但是,可用模型的数量众多和规模庞大,需要自动化的方法来支持研究人员实现其目标。特别是对于在大型网络中查找模式的问题,仅存在部分解决方案。我们提出了一种工作流程,该工作流程可识别以系统生物学标记语言编码的生化反应网络中的常见结构模式。工作流利用子图挖掘算法来检测网络模式。识别出图案后,文本图案描述可以自动转换为图形表示。此外,可以检索有关所选模型集之间的模式分布的信息。该工作流程已通过BioModels精选分支的575个模型进行了验证。在本文中,我们重点介绍了有趣且频繁的结构模式。此外,我们提供了示例性模式,这些模式结合了系统生物学本体中的术语。我们的工作流可以应用于自定义模型集,也可以应用于图形数据库MaSyMoS中已经存在的模型。频繁模式的出现可能会深入了解中央生物过程的编码,评估假定的生物图案或充当共享共有结构的模型的相似性度量。

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