Computational methods and data analysis for metabolomics

著者

    • Li, Shuzhao

書誌事項

Computational methods and data analysis for metabolomics

edited by Shuzhao Li

(Methods in molecular biology / John M. Walker, series editor, v. 2104)(Springer protocols)

Humana Press, 2020

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注記

Includes bibliographical references and index

内容説明・目次

内容説明

This book provides a comprehensive guide to scientists, engineers, and students that employ metabolomics in their work, with an emphasis on the understanding and interpretation of the data. Chapters guide readers through common tools for data processing, using database resources, major techniques in data analysis, and integration with other data types and specific scientific domains. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, practical guidance of methods and techniques, useful web supplements, and connect the steps from experimental metabolomics to scientific discoveries. Authoritative and cutting-edge, Computational Methods and Data Analysis for Metabolomics to ensure successful results in the further study of this vital field.

目次

1. Overview of Experimental Methods and Study Design in Metabolomics, and Statistical and Pathway Considerations Stephen Barnes 2. Metabolomics Data Processing using XCMS Xavier Domingo-Almenara and Gary Siuzdak 3. Metabolomics Data Preprocessing using ADAP and MZmine 2 Xiuxia Du, Aleksandr Smirnov, Tomas Pluskal, Wei Jia, and Susan Sumner 4. Metabolomics Data Processing using OpenMS Marc Rurik, Oliver Alka, Fabian Aicheler, and Oliver Kohlbacher 5. Analysis of NMR Metabolomics Data Wimal Pathmasiri, Kristine Kay, Susan McRitchie, and Susan Sumner 6. Key Concepts Surrounding Studies of Stable Isotope Resolved Metabolomics Stephen F. Previs and Daniel P. Downes 7. Extracting Biological Insight from Untargeted Lipidomics Data Jennifer E. Kyle 8. Overview of Tandem Mass Spectral and Metabolite Databases for Metabolite Identification in Metabolomics Zhangtao Yi and Zheng-Jiang Zhu 9. METLIN: A Metabolite Mass Spectral Database J. Rafael Montenegro-Burke, Carlos Guijas, and Gary Siuzdak 10. Metabolomic Data Exploration and Analysis with the Human Metabolome Database David S. Wishart 11. De Novo Molecular Formula Annotation and Structure Elucidation using SIRIUS 4 Marcus Ludwig, Markus Fleischauer, Kai Duhrkop, Martin A. Hoffmann, and Sebastian Boecker 12. Annotation of Specialized Metabolites from High-throughput and High-resolution Mass Spectrometry Metabolomics Thomas Naake, Emmanuel Gaquerel, and Alisdair R. Fernie 13. Feature Based Molecular Networking for Metabolite Annotation Vanessa V. Phelan 14. A Bioinformatics Primer to Data Science, with Examples for Metabolomics W. Stephen Pittard, Cecilia "Keeko" Villaveces, and Shuzhao Li 15. The Essential Toolbox of Data Science: Python, R, Git and Docker W. Stephen Pittard and Shuzhao Li 16. Predictive Modeling for Metabolomics Data Tusharkanti Ghosh, Weiming Zhang, Debashis Ghosh, and Katerina Kechris 17. Using MetaboAnalyst 4.0 for Metabolomics Data Analysis, Interpretation, and Integration with Other Omics Data Jasmine Chong and Jianguo Xia 18. Using Genome Scale Metabolic Networks for Analysis, Visualization, and Integration of Targeted Metabolomics Data Jake P. N. Hattwell, Janna Hastings, Olivia Casanueva, Horst Joachim Schirra, and Michael Witting 19. Pathway Analysis for Targeted and Untargeted Metabolomics Alla Karnovsky and Shuzhao Li 20. Application of Metabolomics to Renal and Cardiometabolic Diseases Casey M. Rebholz and Eugene P. Rhee 21. Using the IDEOM Workflow for LCMS-Based Metabolomics Studies of Drug Mechanisms Anubhav Srivastava and Darren J Creek 22. Analyzing Metabolomics Data for Environmental Health and Exposome Research Yuping Cai, Ana Rosen Vollmar, and Caroline Helen Johnson 23. Network-based Approaches for Multi-omics Integration Guangyan Zhou, Shuzhao Li, and Jianguo Xia

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