AIMC Topic: Metabolomics
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PeakDetective: A Semisupervised Deep Learning-Based Approach for Peak Curation in Untargeted Metabolomics.
Analytical chemistry
Jun 14, 2023
Peak-detection algorithms currently used to process untargeted metabolomics data were designed to maximize sensitivity at the sacrifice of selectively. Peak lists returned by conventional software tools therefore contain a high density of artifacts t...
OSCA-finder: Redefining the assay of kidney disease diagnostic through metabolomics and deep learning.
Talanta
Jun 2, 2023
Liquid chromatography-mass spectrometry (LC-MS) is a platform for urine and blood sample analysis. However, the high variability in the urine sample reduced the confidence of metabolite identification. Therefore, pre and post-calibration operations a...
Semiquantitative Fingerprinting Based on Pseudotargeted Metabolomics and Deep Learning for the Identification of and Its Major Serotypes.
Analytical chemistry
Apr 4, 2023
The rapid identification of pathogenic microorganism serotypes is still a bottleneck problem to be solved urgently. Compared with proteomics technology, metabolomics technology is directly related to phenotypes and has higher specificity in identifyi...
MS2Query: reliable and scalable MS mass spectra-based analogue search.
Nature communications
Mar 29, 2023
Metabolomics-driven discoveries of biological samples remain hampered by the grand challenge of metabolite annotation and identification. Only few metabolites have an annotated spectrum in spectral libraries; hence, searching only for exact library m...
Feature impact assessment: a new score to identify relevant metabolomics features in artificial neural networks using validated labels.
Metabolomics : Official journal of the Metabolomic Society
Mar 25, 2023
INTRODUCTION: Artificial Neural Networks (ANN) are increasingly used in metabolomics but are hard to interpret.
Plant and microbial sciences as key drivers in the development of metabolomics research.
Proceedings of the National Academy of Sciences of the United States of America
Mar 17, 2023
This year marks the 25th anniversary of the coinage of the term metabolome [S. G. Oliver ., , 373-378 (1998)]. As the field rapidly advances, it is important to take stock of the progress which has been made to best inform the disciplines future. Wh...
The need for an integrated multi-OMICs approach in microbiome science in the food system.
Comprehensive reviews in food science and food safety
Jan 12, 2023
Microbiome science as an interdisciplinary research field has evolved rapidly over the past two decades, becoming a popular topic not only in the scientific community and among the general public, but also in the food industry due to the growing dema...
From research cohorts to the patient - a role for "omics" in diagnostics and laboratory medicine?
Clinical chemistry and laboratory medicine
Jan 4, 2023
Human pathologies are complex and might benefit from a more holistic diagnostic approach than currently practiced. Omics is a concept in biological research that aims to comprehensively characterize and quantify large numbers of biological molecules ...
Implementation of Nutrigenetics and Nutrigenomics Research and Training Activities for Developing Precision Nutrition Strategies in Malaysia.
Nutrients
Dec 1, 2022
Nutritional epidemiological studies show a triple burden of malnutrition with disparate prevalence across the coexisting ethnicities in Malaysia. To tackle malnutrition and related conditions in Malaysia, research in the new and evolving field of nut...
Molecular Networking and On-Tissue Chemical Derivatization for Enhanced Identification and Visualization of Steroid Glycosides by MALDI Mass Spectrometry Imaging.
Analytical chemistry
Nov 8, 2022
Spatial metabolomics describes the spatially resolved analysis of interconnected pathways, biochemical reactions, and transport processes of small molecules in the spatial context of tissues and cells. However, a broad range of metabolite classes (e....
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