Institute of Parasitology, McGill University, Montreal, Québec, Canada.
Department of Biological Sciences, University of Alberta, Edmonton, Alberta, Canada.
Nucleic Acids Res. 2018 Jul 2;46(W1):W486-W494. doi: 10.1093/nar/gky310.
We present a new update to MetaboAnalyst (version 4.0) for comprehensive metabolomic data analysis, interpretation, and integration with other omics data. Since the last major update in 2015, MetaboAnalyst has continued to evolve based on user feedback and technological advancements in the field. For this year's update, four new key features have been added to MetaboAnalyst 4.0, including: (1) real-time R command tracking and display coupled with the release of a companion MetaboAnalystR package; (2) a MS Peaks to Pathways module for prediction of pathway activity from untargeted mass spectral data using the mummichog algorithm; (3) a Biomarker Meta-analysis module for robust biomarker identification through the combination of multiple metabolomic datasets and (4) a Network Explorer module for integrative analysis of metabolomics, metagenomics, and/or transcriptomics data. The user interface of MetaboAnalyst 4.0 has been reengineered to provide a more modern look and feel, as well as to give more space and flexibility to introduce new functions. The underlying knowledgebases (compound libraries, metabolite sets, and metabolic pathways) have also been updated based on the latest data from the Human Metabolome Database (HMDB). A Docker image of MetaboAnalyst is also available to facilitate download and local installation of MetaboAnalyst. MetaboAnalyst 4.0 is freely available at http://metaboanalyst.ca.
我们呈现了 MetaboAnalyst（版本 4.0）的全新更新，用于全面的代谢组学数据分析、解释以及与其他组学数据的整合。自 2015 年上一次重大更新以来，MetaboAnalyst 一直根据用户反馈和该领域的技术进步不断发展。今年的更新为 MetaboAnalyst 4.0 添加了四个新的关键功能，包括：（1）实时 R 命令跟踪和显示，以及发布配套的 MetaboAnalystR 软件包；（2）MS 峰到途径模块，用于使用 mummichog 算法从非靶向质谱数据预测途径活性；（3）生物标志物荟萃分析模块，用于通过组合多个代谢组学数据集进行稳健的生物标志物识别；（4）网络探索器模块，用于代谢组学、宏基因组学和/或转录组学数据的综合分析。MetaboAnalyst 4.0 的用户界面已重新设计，提供更现代的外观和感觉，并为引入新功能提供更多空间和灵活性。基于人类代谢组数据库（HMDB）的最新数据，底层知识库（化合物库、代谢物集和代谢途径）也进行了更新。MetaboAnalyst 的 Docker 镜像也可用于方便下载和本地安装 MetaboAnalyst。MetaboAnalyst 4.0 可在 http://metaboanalyst.ca 免费获得。
