Metabolomics Data Processing and Data Analysis—Current Best Practices

Metabolomics data analysis strategies are central to transforming raw metabolomics data files into meaningful biochemical interpretations that answer biological questions or generate novel hypotheses. This book contains a variety of papers from a Special Issue around the theme “Best Practices in Met...

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Year of Publication:2021
Language:English
Physical Description:1 electronic resource (276 p.)
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520 |a Metabolomics data analysis strategies are central to transforming raw metabolomics data files into meaningful biochemical interpretations that answer biological questions or generate novel hypotheses. This book contains a variety of papers from a Special Issue around the theme “Best Practices in Metabolomics Data Analysis”. Reviews and strategies for the whole metabolomics pipeline are included, whereas key areas such as metabolite annotation and identification, compound and spectral databases and repositories, and statistical analysis are highlighted in various papers. Altogether, this book contains valuable information for researchers just starting in their metabolomics career as well as those that are more experienced and look for additional knowledge and best practice to complement key parts of their metabolomics workflows. 
546 |a English 
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653 |a global metabolomics 
653 |a LC-MS 
653 |a spectra processing 
653 |a pathway analysis 
653 |a enrichment analysis 
653 |a mass spectrometry 
653 |a liquid chromatography 
653 |a MS spectral prediction 
653 |a metabolite identification 
653 |a structure-based chemical classification 
653 |a rule-based fragmentation 
653 |a combinatorial fragmentation 
653 |a time series 
653 |a PLS 
653 |a NPLS 
653 |a variable selection 
653 |a bootstrapped-VIP 
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653 |a computational metabolomics 
653 |a reanalysis 
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653 |a data processing 
653 |a triplot 
653 |a multivariate risk modeling 
653 |a environmental factors 
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653 |a metabolomics imaging 
653 |a biostatistics 
653 |a ion selection algorithms 
653 |a liquid chromatography high-resolution mass spectrometry 
653 |a data-independent acquisition 
653 |a all ion fragmentation 
653 |a targeted analysis 
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653 |a R programming 
653 |a full-scan MS/MS processing 
653 |a R-MetaboList 2 
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653 |a fragmentation (MS/MS) 
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653 |a simulator 
653 |a in silico 
653 |a untargeted metabolomics 
653 |a liquid chromatography–mass spectrometry (LC-MS) 
653 |a experimental design 
653 |a sample preparation 
653 |a univariate and multivariate statistics 
653 |a metabolic pathway and network analysis 
653 |a LC–MS 
653 |a metabolic profiling 
653 |a computational statistical 
653 |a unsupervised learning 
653 |a supervised learning 
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700 1 |a Van der Hooft, Justin  |4 edt 
700 1 |a Hanhineva, Kati  |4 oth 
700 1 |a Van der Hooft, Justin  |4 oth 
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