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Zhiqiang Pang, Jasmine Chong, Guangyan Zhou, David Anderson de Lima Morais, Le Chang, Michel Barrette, Carol Gauthier, Pierre‐Étienne Jacques, Shuzhao Li, Jianguo Xia
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.
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Pang, Z., Chong, J., Zhou, G., Morais, D. A. D. L., Chang, L., Barrette, M., Gauthier, C., Jacques, P., Li, S., & Xia, J. (2021). MetaboAnalyst 5.0: narrowing the gap between raw spectra and functional insights. Nucleic Acids Research, 49(W1), W388–W396. https://doi.org/10.1093/nar/gkab382
Pang, Zhiqiang, et al. "MetaboAnalyst 5.0: narrowing the gap between raw spectra and functional insights." Nucleic Acids Research, vol. 49, no. W1, 2021, pp. W388–W396, https://doi.org/10.1093/nar/gkab382.
Pang, Zhiqiang, Jasmine Chong, Guangyan Zhou, David Anderson de Lima Morais, Le Chang, Michel Barrette, Carol Gauthier, Pierre‐Étienne Jacques, Shuzhao Li, and Jianguo Xia. "MetaboAnalyst 5.0: narrowing the gap between raw spectra and functional insights." Nucleic Acids Research 49, no. W1 (2021): W388–W396. https://doi.org/10.1093/nar/gkab382.
Pang Z., Chong J., Zhou G. [и др.] MetaboAnalyst 5.0: narrowing the gap between raw spectra and functional insights // Nucleic Acids Research. — 2021. — Vol. 49, № W1. — P. W388–W396. — URL: https://doi.org/10.1093/nar/gkab382
@article{pang2021metaboanalyst,
title = {{MetaboAnalyst 5.0: narrowing the gap between raw spectra and functional insights}},
author = {Zhiqiang Pang and Jasmine Chong and Guangyan Zhou and David Anderson de Lima Morais and Le Chang and Michel Barrette and Carol Gauthier and Pierre‐Étienne Jacques and Shuzhao Li and Jianguo Xia},
journal = {Nucleic Acids Research},
year = {2021},
volume = {49},
number = {W1},
pages = {W388--W396},
doi = {10.1093/nar/gkab382},
url = {https://doi.org/10.1093/nar/gkab382}
}TY - JOUR AU - Pang, Zhiqiang AU - Chong, Jasmine AU - Zhou, Guangyan AU - Morais, David Anderson de Lima AU - Chang, Le AU - Barrette, Michel AU - Gauthier, Carol AU - Jacques, Pierre‐Étienne AU - Li, Shuzhao AU - Xia, Jianguo TI - MetaboAnalyst 5.0: narrowing the gap between raw spectra and functional insights JO - Nucleic Acids Research VL - 49 IS - W1 SP - W388 EP - W396 PY - 2021 DA - 2021/04/28 DO - 10.1093/nar/gkab382 UR - https://doi.org/10.1093/nar/gkab382 ER -
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