Mass spectrometry-based metabolomics: a guide for annotation, quantification and best reporting practices
Mass spectrometry-based metabolomics approaches can enable detection and
quantification of many thousands of metabolite features simultaneously. However …
quantification of many thousands of metabolite features simultaneously. However …
Metabolomics for investigating physiological and pathophysiological processes
DS Wishart - Physiological reviews, 2019 - journals.physiology.org
Metabolomics uses advanced analytical chemistry techniques to enable the high-throughput
characterization of metabolites from cells, organs, tissues, or biofluids. The rapid growth in …
characterization of metabolites from cells, organs, tissues, or biofluids. The rapid growth in …
Systems biology and multi-omics integration: viewpoints from the metabolomics research community
The use of multiple omics techniques (ie, genomics, transcriptomics, proteomics, and
metabolomics) is becoming increasingly popular in all facets of life science. Omics …
metabolomics) is becoming increasingly popular in all facets of life science. Omics …
BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification
Y Djoumbou-Feunang, J Fiamoncini… - Journal of …, 2019 - Springer
Background A number of computational tools for metabolism prediction have been
developed over the last 20 years to predict the structures of small molecules undergoing …
developed over the last 20 years to predict the structures of small molecules undergoing …
CFM-ID 3.0: significantly improved ESI-MS/MS prediction and compound identification
Metabolite identification for untargeted metabolomics is often hampered by the lack of
experimentally collected reference spectra from tandem mass spectrometry (MS/MS). To …
experimentally collected reference spectra from tandem mass spectrometry (MS/MS). To …
Livestock metabolomics and the livestock metabolome: A systematic review
Metabolomics uses advanced analytical chemistry techniques to comprehensively measure
large numbers of small molecule metabolites in cells, tissues and biofluids. The ability to …
large numbers of small molecule metabolites in cells, tissues and biofluids. The ability to …
MiMeDB: the human microbial metabolome database
DS Wishart, E Oler, H Peters, AC Guo… - Nucleic Acids …, 2023 - academic.oup.com
Abstract The Human Microbial Metabolome Database (MiMeDB)(https://mimedb. org) is a
comprehensive, multi-omic, microbiome resource that connects:(i) microbes to microbial …
comprehensive, multi-omic, microbiome resource that connects:(i) microbes to microbial …
Systems-level annotation of a metabolomics data set reduces 25 000 features to fewer than 1000 unique metabolites
When using liquid chromatography/mass spectrometry (LC/MS) to perform untargeted
metabolomics, it is now routine to detect tens of thousands of features from biological …
metabolomics, it is now routine to detect tens of thousands of features from biological …
Metabolomics 20 years on: what have we learned and what hurdles remain?
The term metabolome was coined in 1998, by analogy to genome, transcriptome and
proteome. The first research papers using the terms metabolomics, metabonomics …
proteome. The first research papers using the terms metabolomics, metabonomics …
Chemical language models enable navigation in sparsely populated chemical space
Deep generative models are powerful tools for the exploration of chemical space, enabling
the on-demand generation of molecules with desired physical, chemical or biological …
the on-demand generation of molecules with desired physical, chemical or biological …