MetaboAnalyst是目前比较受欢迎的代谢组学分析工具,主要用于代谢组学数据分析、注释、整合其他多组学数据等。不仅有在线分析同时作者也提供了MetaboAnalystR的R包。

图片来自作者文章
MetaboAnalystMetaboAnalystMetaboAnalyst
Tools name5.04.03.0XCMS OnlineW4M3OmicsNOREVA
Raw spectral processing 
Parameter optimization +++ − − ++ − − 
Supported algorithms +++ − − ++ ++ − − 
Resumable analysis +++ − − − − − 
Compound annotation − +++ ++ − − 
Statistical analysis 
Univariate +++ ++ ++ − 
Multivariate +++ ++ +++ − ++ 
Clustering +++ +++ ++ − − 
Power analysis √ √ √ − − − − 
Time-series analysis √ √ √ − − − √ 
Biomarker analysis √ √ √ − − − − 
Biomarker meta-analysis √ √ − − − − − 
Functional analysis 
Function analysis (MS peaks) +++ ++ − ++ − − − 
Enrichment analysis (compounds) +++ − − ++ − 
Pathway analysis +++ ++ − − ++ − 
Functional meta-analysis +++ − − ++ − − − 
Integrative analysis 
Unbiased joint pathway +++ − − +++ − 
Knowledge-based Network ++ ++ − − − ++ − 
Correlation-based Network ++ − − − − − − 
Other features 
Data normalization ++ − − +++ 
Missing value estimation √ √ √ − − − √ 
Technical Replicates Merging √ − − − − − − 

比较MetaboAnalyst (versions 3.0–5.0)和其他工具。其中‘√’ 代表有此功能 ‘-’ 代表缺少功能, ‘+’ 表示支持(‘+’ 的数量代表支持的程度,越多表示更好的支持)

• XCMS online: https://xcmsonline.scripps.edu/.

• Workflow4Metabolomics (W4M): https://workflow4metabolomics.usegalaxy.fr/.

• 3Omics: https://3omics.cmdm.tw/.

• NOREVA: http://idrblab.cn/noreva/.Open in new tab

最新的5.0版本的MetaboAnalyst做了大量的更新:

  • Check out our MetaboAnalyst 5.0 paper now available on the 2021 NAR web server issue; 
  • For multi-omics analysis, try our OmicsAnalyst for various data-driven approaches, or OmicsNet for knowledge-based integration; 
  • Minor bug fixes based on user feedback (05/31/2021); 
  • Improved functional meta-analysis data upload page for more flexible data processing (04/27/2021); 
  • Fixed the issue with synchronized 3D scatter plots for scores and loadings (04/12/2021); 
  • Upgraded to PrimeFaces 10 and fixed the issue for multi-group figure legend (04/06/2021); 
  • Added support for merging technical replicates with different mathematical models and QC measures (02/18/2021);
  • Updated KEGG IDs in internal compound databases (02/09/2021);
  • Added seven tutorials introducing new features in MetaboAnalyst 5.0 (01/15/2021);

官方指导文档:

Overview of MetaboAnalyst 5.0A brief introduction of history, design concepts and key features2021-04-15
Raw MS spectral ProcessingA detailed tutorial for raw spectral analysis2021-04-15
Functional AnalysisA detailed tutorial to guide functional analysis on MS peaks2021-04-15
Meta Functional AnalysisA detailed tutorial to guide meta-analysis on MS peaks2021-04-15
Joint Pathway AnalysisA brief tutorial to introduce joint pathway analysis2021-04-15
Enrichment AnalysisA detailed tutorial to do enrichment analysis2021-04-15
Network ExplorationA tutorial to guide network analysis2021-04-15
Video Demo SeriesA video demo tutorial series2021-04-15

参考资料:

1.https://www.metaboanalyst.ca/

2.Zhiqiang Pang, Jasmine Chong, Guangyan Zhou, David Anderson de Lima Morais, Le Chang, Michel Barrette, Carol Gauthier, Pierre-Étienne Jacques, Shuzhao Li, Jianguo Xia, MetaboAnalyst 5.0: narrowing the gap between raw spectra and functional insights, Nucleic Acids Research, 2021;, gkab382, https://doi.org/10.1093/nar/gkab382