The DOI matches its Crossref record; 42 of the 42 references it cites were found in a registry or an index.
MetaboAnalystR 3.0: Toward an Optimized Workflow for Global Metabolomics
Open accessAbstract
Liquid chromatography coupled to high-resolution mass spectrometry platforms are increasingly employed to comprehensively measure metabolome changes in systems biology and complex diseases. Over the past decade, several powerful computational pipelines have been developed for spectral processing, annotation, and analysis. However, significant obstacles remain with regard to parameter settings, computational efficiencies, batch effects, and functional interpretations. Here, we introduce MetaboAnalystR 3.0, a significantly improved pipeline with three key new features: (1) efficient parameter optimization for peak picking; (2) automated batch effect correction; and (3) more accurate pathway activity prediction. Our benchmark studies showed that this workflow was 20~100× faster compared to other well-established workflows and produced more biologically meaningful results. In summary, MetaboAnalystR 3.0 offers an efficient pipeline to support high-throughput global metabolomics in the open-source R environment.
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Cites
Adjusting batch effects in microarray expression data using empirical Bayes methods
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A cross-platform toolkit for mass spectrometry and proteomics
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“Finally, the IBD data was first processed using the optimized parameters, followed by batch correction based on QC samples.”
BackgroundMethodInfluentialNormalization of RNA-seq data using factor analysis of control genes or samples
Risso, D., Ngai, J., Speed, T. P., & Dudoit, S. (2014) · Nature Biotechnology · doi:10.1038/nbt.2931 · Cited by 2,052
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Predicting Network Activity from High Throughput Metabolomics
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Cited by
Pang, Z., Lu, Y., Zhou, G., Hui, F., Xu, L., Viau, C., Spigelman, A. F., MacDonald, P. E., Wishart, D. S., Li, S., et al. (2024) · Nucleic Acids Research · doi:10.1093/nar/gkae253 · Cited by 2,291
Self-citationPang, Z., Zhou, G., Ewald, J., Chang, L., Hacariz, O., Basu, N., & Xia, J. (2022) · Nature Protocols · doi:10.1038/s41596-022-00710-w · Cited by 1,444
Self-citationMetaboAnalystR 4.0: a unified LC-MS workflow for global metabolomics
Pang, Z., Xu, L., Viau, C., Lu, Y., Salavati, R., Basu, N., & Xia, J. (2024) · Nature Communications · doi:10.1038/s41467-024-48009-6 · Cited by 284
Self-citationFujihara, K. M., Zhang, B. Z., Jackson, T. D., Ogunkola, M. O., Nijagal, B., Milne, J. V., Sallman, D. A., Ang, C.-S., Nikolic, I., Kearney, C. J., et al. (2022) · Science Advances · doi:10.1126/sciadv.abm9427 · Cited by 102
“Statistical analysis was performed applying the web-based platform Metabo-Analyst applying no missing value imputation, normalization to median peak area, and no scaling or transformation ( 53 ).”
Goodrich, J. A., Walker, D. I., He, J., Lin, X., Baumert, B. O., Hu, X., Alderete, T. L., Chen, Z., Valvi, D., Fuentes, Z. C., et al. (2023) · Environmental Health Perspectives · doi:10.1289/ehp11372 · Cited by 96
Metadata
- Authors
- Pang, Z., Chong, J., Li, S., & Xia, J.
- Venue
- Metabolites
- Publisher
- MDPI AG
- Published
- 2020-05-07
- Volume
- 10
- Issue
- 5
- Pages
- 186
- ISSN
- 2218-1989 (ISSN-L)
- OpenAlex
- W3022658502
- Cited by
- 558
- References
- 42
- FWCI
- 24.96
- Type
- journal article
- Language
- en
- Open access
- gold
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