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  • © 2020

Computational Methods and Data Analysis for Metabolomics

Editors:

  • Includes cutting-edge methods and protocols
  • Provides step-by-step detail essential for reproducible results
  • Contains key notes and implementation advice from the experts

Part of the book series: Methods in Molecular Biology (MIMB, volume 2104)

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Table of contents (23 protocols)

  1. Front Matter

    Pages i-xi
  2. Metabolomics Data Processing Using XCMS

    • Xavier Domingo-Almenara, Gary Siuzdak
    Pages 11-24
  3. Metabolomics Data Preprocessing Using ADAP and MZmine 2

    • Xiuxia Du, Aleksandr Smirnov, Tomáš Pluskal, Wei Jia, Susan Sumner
    Pages 25-48
  4. Metabolomics Data Processing Using OpenMS

    • Marc Rurik, Oliver Alka, Fabian Aicheler, Oliver Kohlbacher
    Pages 49-60
  5. Analysis of NMR Metabolomics Data

    • Wimal Pathmasiri, Kristine Kay, Susan McRitchie, Susan Sumner
    Pages 61-97
  6. Key Concepts Surrounding Studies of Stable Isotope-Resolved Metabolomics

    • Stephen F. Previs, Daniel P. Downes
    Pages 99-120
  7. METLIN: A Tandem Mass Spectral Library of Standards

    • J. Rafael Montenegro-Burke, Carlos Guijas, Gary Siuzdak
    Pages 149-163
  8. De Novo Molecular Formula Annotation and Structure Elucidation Using SIRIUS 4

    • Marcus Ludwig, Markus Fleischauer, Kai Dührkop, Martin A. Hoffmann, Sebastian Böcker
    Pages 185-207
  9. A Bioinformatics Primer to Data Science, with Examples for Metabolomics

    • W. Stephen Pittard, Cecilia “Keeko” Villaveces, Shuzhao Li
    Pages 245-263
  10. The Essential Toolbox of Data Science: Python, R, Git, and Docker

    • W. Stephen Pittard, Shuzhao Li
    Pages 265-311
  11. Predictive Modeling for Metabolomics Data

    • Tusharkanti Ghosh, Weiming Zhang, Debashis Ghosh, Katerina Kechris
    Pages 313-336
  12. 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, Michael Witting
    Pages 361-386
  13. Pathway Analysis for Targeted and Untargeted Metabolomics

    • Alla Karnovsky, Shuzhao Li
    Pages 387-400

About this book

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.

Editors and Affiliations

  • Department of Medicine, Emory University School of Medicine, Atlanta, USA

    Shuzhao Li

Bibliographic Information

  • Book Title: Computational Methods and Data Analysis for Metabolomics

  • Editors: Shuzhao Li

  • Series Title: Methods in Molecular Biology

  • DOI: https://doi.org/10.1007/978-1-0716-0239-3

  • Publisher: Humana New York, NY

  • eBook Packages: Springer Protocols

  • Copyright Information: Springer Science+Business Media, LLC, part of Springer Nature 2020

  • Hardcover ISBN: 978-1-0716-0238-6Published: 18 January 2020

  • Softcover ISBN: 978-1-0716-0241-6Published: 18 January 2021

  • eBook ISBN: 978-1-0716-0239-3Published: 17 January 2020

  • Series ISSN: 1064-3745

  • Series E-ISSN: 1940-6029

  • Edition Number: 1

  • Number of Pages: XI, 491

  • Number of Illustrations: 56 b/w illustrations, 119 illustrations in colour

  • Topics: Metabolomics, Computational Biology/Bioinformatics

Buy it now

Buying options

eBook USD 109.00
Price excludes VAT (USA)
  • Available as EPUB and PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book USD 139.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info
Hardcover Book USD 249.99
Price excludes VAT (USA)
  • Durable hardcover edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Other ways to access