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Metabolic Profiling

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Cover of 'Metabolic Profiling'

Table of Contents

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    Book Overview
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    Chapter 1 Metabolic Profiling: Status, Challenges, and Perspective
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    Chapter 2 Quality Control and Validation Issues in LC-MS Metabolomics
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    Chapter 3 Data Treatment for LC-MS Untargeted Analysis
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    Chapter 4 Bio- and Chemoinformatics Approaches for Metabolomics Data Analysis
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    Chapter 5 HILIC-MS/MS Multi-Targeted Method for Metabolomics Applications
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    Chapter 6 Ion Pair Chromatography for Endogenous Metabolites LC-MS Analysis in Tissue Samples Following Targeted Acquisition
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    Chapter 7 LC-MS Untargeted Analysis
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    Chapter 8 NMR-Based Metabolic Profiling Procedures for Biofluids and Cell and Tissue Extracts
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    Chapter 9 Untargeted GC-MS Metabolomics
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    Chapter 10 Rat Fecal Metabolomics-Based Analysis
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    Chapter 11 GC-MS Metabolomic Profiling of Protic Metabolites Following Heptafluorobutyl Chloroformate Mediated Dispersive Liquid Microextraction Sample Preparation Protocol
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    Chapter 12 Sheathless Capillary Electrophoresis-Mass Spectrometry for the Profiling of Charged Metabolites in Biological Samples
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    Chapter 13 Two-Phase Extraction for Comprehensive Analysis of the Plant Metabolome by NMR
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    Chapter 14 NMR Spectroscopy Protocols for Food Metabolomics Applications
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    Chapter 15 Direct Injection Analysis of Fruit VOCs by PTR-ToF-MS: The Apple Case Study
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    Chapter 16 LC-MS Untargeted Protocol for the Analysis of Wine
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    Chapter 17 Tissue Multiplatform-Based Metabolomics/Metabonomics for Enhanced Metabolome Coverage
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    Chapter 18 UHPLC-HRMS Analysis for Steroid Profiling in Serum (Steroidomics)
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    Chapter 19 Metabolomics in Human Acute-Exercise Trials: Study Design and Preparation
Attention for Chapter 4: Bio- and Chemoinformatics Approaches for Metabolomics Data Analysis
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Chapter title
Bio- and Chemoinformatics Approaches for Metabolomics Data Analysis
Chapter number 4
Book title
Metabolic Profiling
Published in
Methods in molecular biology, April 2018
DOI 10.1007/978-1-4939-7643-0_4
Pubmed ID
29654582
Book ISBNs
978-1-4939-7642-3, 978-1-4939-7643-0
Authors

Michael Witting, Witting, Michael

Abstract

Metabolomics data analysis includes several repetitive tasks, including data sorting, calculation of exact masses or other physicochemical properties, or searching for identifiers in different databases. Several of these tasks can be automated using command line tools or short scripts in different scripting languages like Perl, Python, or R. This chapter presents simple solutions and short scripts written in R that can be used for the interaction with specific web services or for the calculation of physicochemical properties or molecular formulae.

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Mendeley readers

The data shown below were compiled from readership statistics for 6 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
Unknown 6 100%

Demographic breakdown

Readers by professional status Count As %
Student > Ph. D. Student 4 67%
Student > Master 1 17%
Unknown 1 17%
Readers by discipline Count As %
Agricultural and Biological Sciences 2 33%
Chemistry 2 33%
Unknown 2 33%

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