Costa Rafael S, Veríssimo André, Vinga Susana
Instituto de Engenharia de Sistemas e Computadores, Investigacão e Desenvolvimento (INESC-ID), R Alves Redol 9, Lisboa, 1000-029, Portugal.
BMC Syst Biol. 2014 Aug 13;8:85. doi: 10.1186/s12918-014-0085-3.
The kinetic modeling of biological systems is mainly composed of three steps that proceed iteratively: model building, simulation and analysis. In the first step, it is usually required to set initial metabolite concentrations, and to assign kinetic rate laws, along with estimating parameter values using kinetic data through optimization when these are not known. Although the rapid development of high-throughput methods has generated much omics data, experimentalists present only a summary of obtained results for publication, the experimental data files are not usually submitted to any public repository, or simply not available at all. In order to automatize as much as possible the steps of building kinetic models, there is a growing requirement in the systems biology community for easily exchanging data in combination with models, which represents the main motivation of KiMoSys development.
KiMoSys is a user-friendly platform that includes a public data repository of published experimental data, containing concentration data of metabolites and enzymes and flux data. It was designed to ensure data management, storage and sharing for a wider systems biology community. This community repository offers a web-based interface and upload facility to turn available data into publicly accessible, centralized and structured-format data files. Moreover, it compiles and integrates available kinetic models associated with the data.KiMoSys also integrates some tools to facilitate the kinetic model construction process of large-scale metabolic networks, especially when the systems biologists perform computational research.
KiMoSys is a web-based system that integrates a public data and associated model(s) repository with computational tools, providing the systems biology community with a novel application facilitating data storage and sharing, thus supporting construction of ODE-based kinetic models and collaborative research projects.The web application implemented using Ruby on Rails framework is freely available for web access at http://kimosys.org, along with its full documentation.
生物系统的动力学建模主要由三个迭代进行的步骤组成:模型构建、模拟和分析。在第一步中,通常需要设置初始代谢物浓度,分配动力学速率定律,并在这些参数值未知时通过优化使用动力学数据估计参数值。尽管高通量方法的快速发展产生了大量组学数据,但实验人员仅呈现所获结果的摘要以供发表,实验数据文件通常不提交至任何公共数据库,或者根本无法获取。为了尽可能自动化构建动力学模型的步骤,系统生物学界对结合模型轻松交换数据的需求日益增长,这是开发KiMoSys的主要动机。
KiMoSys是一个用户友好的平台,包括已发表实验数据的公共数据库,其中包含代谢物、酶的浓度数据以及通量数据。其设计目的是为更广泛的系统生物学界确保数据管理、存储和共享。这个社区数据库提供基于网络的界面和上传工具,将可用数据转化为可公开访问、集中且结构化格式的数据文件。此外,它编译并整合与数据相关的可用动力学模型。KiMoSys还集成了一些工具,以促进大规模代谢网络的动力学模型构建过程,特别是当系统生物学家进行计算研究时。
KiMoSys是一个基于网络的系统,它将公共数据和相关模型库与计算工具集成在一起,为系统生物学界提供了一个新颖的应用程序,便于数据存储和共享,从而支持基于常微分方程的动力学模型构建和合作研究项目。使用Ruby on Rails框架实现的网络应用程序可在http://kimosys.org免费访问,同时还提供完整的文档。