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Tellurium notebooks—An environment for reproducible dynamical modeling in systems biology

机译:碲笔记本-系统生物学中可重现的动态建模环境

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摘要

The considerable difficulty encountered in reproducing the results of published dynamical models limits validation, exploration and reuse of this increasingly large biomedical research resource. To address this problem, we have developed Tellurium Notebook, a software system for model authoring, simulation, and teaching that facilitates building reproducible dynamical models and reusing models by 1) providing a notebook environment which allows models, Python code, and narrative to be intermixed, 2) supporting the COMBINE archive format during model development for capturing model information in an exchangeable format and 3) enabling users to easily simulate and edit public COMBINE-compliant models from public repositories to facilitate studying model dynamics, variants and test cases. Tellurium Notebook, a Python–based Jupyter–like environment, is designed to seamlessly inter-operate with these community standards by automating conversion between COMBINE standards formulations and corresponding in–line, human–readable representations. Thus, Tellurium brings to systems biology the strategy used by other literate notebook systems such as Mathematica. These capabilities allow users to edit every aspect of the standards–compliant models and simulations, run the simulations in–line, and re–export to standard formats. We provide several use cases illustrating the advantages of our approach and how it allows development and reuse of models without requiring technical knowledge of standards. Adoption of Tellurium should accelerate model development, reproducibility and reuse.
机译:在复制已发布的动力学模型的结果时遇到的相当大的困难限制了这种日益庞大的生物医学研究资源的验证,探索和重用。为了解决这个问题,我们开发了Tellurium Notebook,这是一个用于模型编写,仿真和教学的软件系统,可通过以下步骤促进构建可再现的动态模型和重用模型:1)提供允许将模型,Python代码和叙述混合在一起的笔记本环境,2)在模型开发过程中支持COMBINE存档格式,以可交换的格式捕获模型信息; 3)使用户能够轻松地从公共存储库模拟和编辑与COMBINE兼容的公共模型,以方便研究模型动态,变体和测试用例。 Tellurium Notebook是一种基于Python的Jupyter式环境,旨在通过自动在COMBINE标准制定与相应的在线,人类可读表示之间进行转换,来与这些社区标准无缝互操作。因此,Tellurium将其他识字笔记本系统(例如Mathematica)使用的策略引入系统生物学。这些功能使用户可以编辑符合标准的模型和仿真的各个方面,在线运行仿真,然后重新导出为标准格式。我们提供了几个用例,这些用例说明了我们的方法的优势,以及如何在不需要标准技术知识的情况下允许开发和重用模型。采用碲将加速模型开发,可再现性和重复使用。

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