Waltemath Dagmar, Adams Richard, Bergmann Frank T, Hucka Michael, Kolpakov Fedor, Miller Andrew K, Moraru Ion I, Nickerson David, Sahle Sven, Snoep Jacky L, Le Novère Nicolas
Department of Systems Biology & Bioinformatics, Institute of Computer Science, University of Rostock, D-18051 Rostock, Germany.
BMC Syst Biol. 2011 Dec 15;5:198. doi: 10.1186/1752-0509-5-198.
The increasing use of computational simulation experiments to inform modern biological research creates new challenges to annotate, archive, share and reproduce such experiments. The recently published Minimum Information About a Simulation Experiment (MIASE) proposes a minimal set of information that should be provided to allow the reproduction of simulation experiments among users and software tools.
In this article, we present the Simulation Experiment Description Markup Language (SED-ML). SED-ML encodes in a computer-readable exchange format the information required by MIASE to enable reproduction of simulation experiments. It has been developed as a community project and it is defined in a detailed technical specification and additionally provides an XML schema. The version of SED-ML described in this publication is Level 1 Version 1. It covers the description of the most frequent type of simulation experiments in the area, namely time course simulations. SED-ML documents specify which models to use in an experiment, modifications to apply on the models before using them, which simulation procedures to run on each model, what analysis results to output, and how the results should be presented. These descriptions are independent of the underlying model implementation. SED-ML is a software-independent format for encoding the description of simulation experiments; it is not specific to particular simulation tools. Here, we demonstrate that with the growing software support for SED-ML we can effectively exchange executable simulation descriptions.
With SED-ML, software can exchange simulation experiment descriptions, enabling the validation and reuse of simulation experiments in different tools. Authors of papers reporting simulation experiments can make their simulation protocols available for other scientists to reproduce the results. Because SED-ML is agnostic about exact modeling language(s) used, experiments covering models from different fields of research can be accurately described and combined.
计算模拟实验在现代生物学研究中的应用日益广泛,这给此类实验的注释、存档、共享和重现带来了新的挑战。最近发布的《模拟实验最小信息》(MIASE)提出了一组最少的信息,应提供这些信息以便用户和软件工具之间重现模拟实验。
在本文中,我们介绍了模拟实验描述标记语言(SED-ML)。SED-ML以计算机可读的交换格式对MIASE要求的信息进行编码,以实现模拟实验的重现。它是作为一个社区项目开发的,在详细的技术规范中进行了定义,并额外提供了一个XML模式。本出版物中描述的SED-ML版本是第1级第1版。它涵盖了该领域最常见的模拟实验类型的描述,即时程模拟。SED-ML文档指定了实验中要使用的模型、使用模型之前对其进行的修改、在每个模型上运行的模拟程序、要输出的分析结果以及结果应如何呈现。这些描述与底层模型实现无关。SED-ML是一种与软件无关的格式,用于编码模拟实验的描述;它不特定于特定的模拟工具。在这里,我们证明随着对SED-ML的软件支持不断增加,我们可以有效地交换可执行的模拟描述。
借助SED-ML,软件可以交换模拟实验描述,从而在不同工具中实现模拟实验的验证和重用。报告模拟实验的论文作者可以将其模拟协议提供给其他科学家以重现结果。由于SED-ML与所使用的确切建模语言无关,因此可以准确描述和组合涵盖不同研究领域模型的实验。