CloMet:一个新的开源和模块化软件平台,连接已建立的代谢学存储库和数据分析资源
Jordi Rodeiro1, Ester Vidaña-Vila1, Joan Navarro2
1Human Environment Research, La Salle - Universitat Ramon Llull, 08022 Barcelona, Spain.
Journal of proteome research
|July 10, 2023
概括
CloMet是一个新的软件平台,标准化了代谢学数据. 它将MetaboLights等存储库中的数据转换为MetaboAnalyst等分析工具可以使用的格式,从而提高了数据的可重复使用性.
科学领域:
- 代谢学 代谢学 代谢学
- 生物信息学是一种生物信息学.
- 计算生物学 计算生物学
背景情况:
- 像 MetaboLights 和 Metabolomics Workbench 这样的 Metabolomics 数据库缺乏用于原始获取数据的标准化文件格式.
- 这种缺乏标准化阻碍了数据集在流行的分析平台如Workflows4Metabolomics和MetaboAnalyst中直接重复使用.
- 非专家用户在将数据库数据集成到分析工作流程中面临重大挑战.
研究的目的:
- 介绍CloMet,一个新的开源模块化软件平台,旨在解决代谢学数据中的标准化和可重复使用性挑战.
- 为了促进主要数据库和分析平台之间的代谢学数据的无传输.
- 提高在代谢学领域的数据驱动视角的可复制性和巩固性.
主要方法:
- 开发了CloMet作为一个开源的模块化软件平台,可以通过Docker文件访问.
- 实现了功能,以从MetaboLights和Metabolomics Workbench中转换原始和基于NMR的代谢学数据.
- 确保输出数据格式与MetaboAnalyst和Workflows4Metabolomics直接兼容,以便立即进行分析.
主要成果:
- CloMet成功地将特定存储库中的代谢学数据转换为标准化,分析准备的格式.
- 使用现有数据集验证了CloMet的功能和转换数据的完整性.
- 展示了平台在代谢学中弥合数据存储和数据分析资源之间的差距的能力.
结论:
- CloMet有效地标准化了代谢学数据,提高了其可重复使用性和可重复性.
- 该平台简化了将主要存储库中的数据集成到领先的基于Web的分析工具中.
- 通过连接不同的资源,CloMet支持在代谢学中推进数据驱动的方法.
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