MetaboAnalyst 5.0: narrowing the gap between raw spectra and functional insights.
MetaboAnalyst 5.0: narrowing the gap between raw spectra and functional insights.
复制标题
DOI：
10.1093/nar/gkab382
复制
发表时间：
2021-07-02
影响因子：
14.9
通讯作者：
Xia J
中科院分区：
文献类型：
--
作者：
Pang Z;Chong J;Zhou G;de Lima Morais DA;Chang L;Barrette M;Gauthier C;Jacques PÉ;Li S;Xia J
自十多年前首次发布以来，MetaboAnalyst 基于网络的平台已广泛用于全面的代谢组学数据分析和解释。在这里，我们介绍 MetaboAnalyst 5.0 版本，旨在缩小从原始数据到基于高分辨率质谱 (HRMS) 的全球代谢组学功能见解的差距。我们开发了三个模块来帮助实现这一目标，包括：(i) LC-MS 光谱处理模块，该模块提供易于使用的管道，可以执行自动参数优化和可恢复分析，以显着降低 LC-MS1 光谱处理的障碍； (ii) 功能分析模块，将之前的 MS Peaks 扩展到 Pathways 模块，使用户能够直观地选择任何感兴趣的峰组，并评估其对由代谢途径和代谢物集定义的潜在功能的富集； (iii) 功能荟萃分析模块，用于结合在互补条件下或类似研究中获得的多个全球代谢组学数据集，以获得全面的功能见解。还有许多其他新功能，包括加权联合路径分析、数据驱动的网络分析、批量效应校正、合并技术重复、改进的化合物名称匹配等。Web 界面、图形和底层代码库也经过重构，以提高性能和用户体验。在分析会话结束时，用户现在可以轻松切换到其他兼容模块，以进行更简化的数据分析。 MetaboAnalyst 5.0 可在 https://www.metaboanalyst.ca 免费获取。使用 MetaboAnalyst 5.0 从原始数据到统计和功能见解。
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. From raw data to statistical and functional insights using MetaboAnalyst 5.0.
登录
查看更多内容
影响因子：
14.9
作者：
Kanehisa M;Furumichi M;Sato Y;Ishiguro-Watanabe M;Tanabe M
通讯作者：
Tanabe M
影响因子：
--
作者：
Kuo TC;Tian TF;Tseng YJ
通讯作者：
Tseng YJ
DOI：
10.1007/978-1-0716-0239-3_3
发表时间：
2020
期刊：
Methods in molecular biology (Clifton, N.J.)
影响因子：
--
作者：
Du X;Smirnov A;Pluskal T;Jia W;Sumner S
通讯作者：
Sumner S
影响因子：
4.1
作者：
Chong J;Xia J
通讯作者：
Xia J
影响因子：
4.1
作者：
Chong, Jasmine;Yamamoto, Mai;Xia, Jianguo
通讯作者：
Xia, Jianguo