MetaboAnalyst 5.0: narrowing the gap between raw spectra and functional insights
| Autor: | Pierre-Étienne Jacques, Le Chang, Shuzhao Li, David Anderson de Lima Morais, Michel Barrette, Zhiqiang Pang, Jianguo Xia, Guangyan Zhou, Carol Gauthier, Jasmine Chong |
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| Rok vydání: | 2021 |
| Předmět: |
AcademicSubjects/SCI00010
Interface (Java) Knowledge Bases Biology computer.software_genre Mass Spectrometry Session (web analytics) 03 medical and health sciences Software User experience design Genetics Metabolomics Graphics 030304 developmental biology Codebase 0303 health sciences business.industry Gene Expression Profiling 030302 biochemistry & molecular biology Pipeline (software) Web Server Issue Data mining business computer Chromatography Liquid Network analysis |
| Zdroj: | Nucleic Acids Research |
| ISSN: | 1362-4962 0305-1048 |
| Popis: | Since its first release over a decade ago, the MetaboAnalyst web-based platform has become widely used for comprehensive metabolomics data analysis and interpretation. Here we introduce MetaboAnalyst version 5.0, aiming to narrow the gap from raw data to functional insights for global metabolomics based on high-resolution mass spectrometry (HRMS). Three modules have been developed to help achieve this goal, including: (i) a LC–MS Spectra Processing module which offers an easy-to-use pipeline that can perform automated parameter optimization and resumable analysis to significantly lower the barriers to LC-MS1 spectra processing; (ii) a Functional Analysis module which expands the previous MS Peaks to Pathways module to allow users to intuitively select any peak groups of interest and evaluate their enrichment of potential functions as defined by metabolic pathways and metabolite sets; (iii) a Functional Meta-Analysis module to combine multiple global metabolomics datasets obtained under complementary conditions or from similar studies to arrive at comprehensive functional insights. There are many other new functions including weighted joint-pathway analysis, data-driven network analysis, batch effect correction, merging technical replicates, improved compound name matching, etc. The web interface, graphics and underlying codebase have also been refactored to improve performance and user experience. At the end of an analysis session, users can now easily switch to other compatible modules for a more streamlined data analysis. MetaboAnalyst 5.0 is freely available at https://www.metaboanalyst.ca. Graphical Abstract Graphical AbstractFrom raw data to statistical and functional insights using MetaboAnalyst 5.0. |
| Databáze: | OpenAIRE |
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