Expanding Urinary Metabolite Annotation through Integrated Mass Spectral Similarity Networking.
Sign Up to like & getrecommendations! Published in 2021 at "Analytical chemistry"
DOI: 10.1021/acs.analchem.1c02041
Abstract: The urine metabolome constitutes a rich source of functional information reflecting physiological states that are influenced by distinct conditions and biological stresses, such as responses to drug treatments or disease manifestations. Although global liquid chromatography-mass… read more here.
Keywords: annotation integrated; expanding urinary; similarity; annotation ... See more keywords
MAGI: A Method for Metabolite Annotation and Gene Integration.
Sign Up to like & getrecommendations! Published in 2019 at "ACS chemical biology"
DOI: 10.1021/acschembio.8b01107
Abstract: Metabolomics is a widely used technology for obtaining direct measures of metabolic activities from diverse biological systems. However, ambiguous metabolite identifications are a common challenge and biochemical interpretation is often limited by incomplete and inaccurate… read more here.
Keywords: magi; method; annotation gene; metabolite annotation ... See more keywords
Ion mobility collision cross-section atlas for known and unknown metabolite annotation in untargeted metabolomics
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DOI: 10.1038/s41467-020-18171-8
Abstract: The metabolome includes not just known but also unknown metabolites; however, metabolite annotation remains the bottleneck in untargeted metabolomics. Ion mobility – mass spectrometry (IM-MS) has emerged as a promising technology by providing multi-dimensional characterizations… read more here.
Keywords: annotation; ion mobility; metabolite annotation; known unknown ... See more keywords
Convolutional Neural Network-Based Compound Fingerprint Prediction for Metabolite Annotation
Sign Up to like & getrecommendations! Published in 2022 at "Metabolites"
DOI: 10.3390/metabo12070605
Abstract: Metabolite annotation has been a challenging issue especially in untargeted metabolomics studies by liquid chromatography coupled with mass spectrometry (LC-MS). This is in part due to the limitations of publicly available spectral libraries, which consist… read more here.
Keywords: neural network; fingerprint prediction; convolutional neural; metabolite annotation ... See more keywords