Metabolomics Data Processing and Data Analysis—Current Best Practices

doi:10.3390/books978-3-0365-1195-5

dc.contributor.editor	Hanhineva, Kati
dc.contributor.editor	Van der Hooft, Justin
dc.date.accessioned	2022-01-11T13:44:14Z
dc.date.available	2022-01-11T13:44:14Z
dc.date.issued	2021
dc.identifier	ONIX_20220111_9783036511948_590
dc.identifier.uri	https://directory.doabooks.org/handle/20.500.12854/76855
dc.description.abstract	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.
dc.language	English
dc.subject.classification	thema EDItEUR::G Reference, Information and Interdisciplinary subjects::GP Research and information: general	en_US
dc.subject.other	metabolic networks
dc.subject.other	mass spectral libraries
dc.subject.other	metabolite annotation
dc.subject.other	metabolomics data mapping
dc.subject.other	nontarget analysis
dc.subject.other	liquid chromatography mass spectrometry
dc.subject.other	compound identification
dc.subject.other	tandem mass spectral library
dc.subject.other	forensics
dc.subject.other	wastewater
dc.subject.other	gut microbiome
dc.subject.other	meta-omics
dc.subject.other	metagenomics
dc.subject.other	metabolomics
dc.subject.other	metabolic reconstructions
dc.subject.other	genome-scale metabolic modeling
dc.subject.other	constraint-based modeling
dc.subject.other	flux balance
dc.subject.other	host–microbiome
dc.subject.other	metabolism
dc.subject.other	global metabolomics
dc.subject.other	LC-MS
dc.subject.other	spectra processing
dc.subject.other	pathway analysis
dc.subject.other	enrichment analysis
dc.subject.other	mass spectrometry
dc.subject.other	liquid chromatography
dc.subject.other	MS spectral prediction
dc.subject.other	metabolite identification
dc.subject.other	structure-based chemical classification
dc.subject.other	rule-based fragmentation
dc.subject.other	combinatorial fragmentation
dc.subject.other	time series
dc.subject.other	PLS
dc.subject.other	NPLS
dc.subject.other	variable selection
dc.subject.other	bootstrapped-VIP
dc.subject.other	data repository
dc.subject.other	computational metabolomics
dc.subject.other	reanalysis
dc.subject.other	lipidomics
dc.subject.other	data processing
dc.subject.other	triplot
dc.subject.other	multivariate risk modeling
dc.subject.other	environmental factors
dc.subject.other	disease risk
dc.subject.other	chemical classification
dc.subject.other	in silico workflows
dc.subject.other	metabolome mining
dc.subject.other	molecular families
dc.subject.other	networking
dc.subject.other	substructures
dc.subject.other	mass spectrometry imaging
dc.subject.other	metabolomics imaging
dc.subject.other	biostatistics
dc.subject.other	ion selection algorithms
dc.subject.other	liquid chromatography high-resolution mass spectrometry
dc.subject.other	data-independent acquisition
dc.subject.other	all ion fragmentation
dc.subject.other	targeted analysis
dc.subject.other	untargeted analysis
dc.subject.other	R programming
dc.subject.other	full-scan MS/MS processing
dc.subject.other	R-MetaboList 2
dc.subject.other	liquid chromatography–mass spectrometry (LC/MS)
dc.subject.other	fragmentation (MS/MS)
dc.subject.other	data-dependent acquisition (DDA)
dc.subject.other	simulator
dc.subject.other	in silico
dc.subject.other	untargeted metabolomics
dc.subject.other	liquid chromatography–mass spectrometry (LC-MS)
dc.subject.other	experimental design
dc.subject.other	sample preparation
dc.subject.other	univariate and multivariate statistics
dc.subject.other	metabolic pathway and network analysis
dc.subject.other	LC–MS
dc.subject.other	metabolic profiling
dc.subject.other	computational statistical
dc.subject.other	unsupervised learning
dc.subject.other	supervised learning
dc.title	Metabolomics Data Processing and Data Analysis—Current Best Practices
dc.type	book
oapen.identifier.doi	10.3390/books978-3-0365-1195-5
oapen.relation.isPublishedBy	46cabcaa-dd94-4bfe-87b4-55023c1b36d0
oapen.relation.isbn	9783036511948
oapen.relation.isbn	9783036511955
oapen.pages	276
oapen.place.publication	Basel, Switzerland

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