工作流4代谢学 (W4M):一个用户友好的代谢学平台,用于分析质谱和核磁共振数据
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Updated: May 28, 2025

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A Strategy for Sensitive, Large Scale Quantitative Metabolomics
Published on: May 27, 2014
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Cédric Delporte1,2, Marie Tremblay-Franco3,4,2, Yann Guitton5
1Pharmacognosy, Bioanalysis and Drug Development & Analytical Platform (APFP), Faculty of Pharmacy, Université libre de Bruxelles (ULB), Brussels, Belgium.
Current protocols
|February 14, 2025
概括
工作流4代谢学 (W4M) 平台提供可访问的生物信息学工作流,用于处理和分析LC-MS,GC-MS和NMR的代谢学数据. 这个用户友好的工具简化了全球研究人员的复杂数据分析.
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:
- 代谢学研究依赖于光谱学方法,如核磁共振 (NMR) 和质谱 (MS).
- 生物信息学对于处理,统计分析和代谢物注释在代谢学中至关重要.
- 现有的工具往往需要大量的计算专业知识,限制了可访问性.
研究的目的:
- 介绍并详细说明使用Workflow4Metabolomics (W4M) 平台的逐步协议.
- 为LC-MS,GC-MS和NMR数据处理提供用户友好的集成工作流程.
- 为全球研究社区提供高效和可访问的代谢学数据分析.
主要方法:
- 使用Workflow4Metabolomics (W4M) 平台,可以通过UseGalaxy法国的网页界面访问.
- 实现模块化和可扩展的工作流程,结合既有的软件包 (如XCMS,CAMERA) 和W4M开发的模块.
- 遵循数据上传,处理 (LC-MS,GC-MS,NMR),统计分析和代谢物注释的详细协议.
主要成果:
- W4M提供了一个虚拟研究环境 (VRE),为各种代谢学社区提供预配置的工作流.
- 该平台在工作流优化后使用标准个人电脑为数百个样本提供数据处理.
- 建立了对复杂生物信息学管道的用户友好访问,以获取代谢学数据.
结论:
- 通过提供一个集成和可访问的生态系统,W4M平台使代谢学数据分析民主化.
- 研究人员可以通过标准化工作流程高效地处理和分析各种代谢学数据类型.
- W4M为全球的研究人员提供了先进的生物信息学工具,用于生物发现.
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