AIMC Topic: Metabolomics
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Non-targeted metabolomics and explainable artificial intelligence: Effects of processing and color on coniferyl aldehyde levels in Eucommiae cortex.
Food chemistry
Jul 25, 2024
Eucommia ulmoides, a plant native to China, is valued for its medicinal properties and has applications in food, health products, and traditional Chinese medicine. Processed Eucommiae Cortex (EC) has historically been a highly valued medicine. Ancien...
Combining Metabolomics and Machine Learning to Identify Diagnostic and Prognostic Biomarkers in Patients with Non-Small Cell Lung Cancer Pre- and Post-Radiation Therapy.
Biomolecules
Jul 24, 2024
Lung cancer is the leading cause of cancer-related deaths globally, with non-small cell lung cancer (NSCLC) accounting for over 85% of cases and poor prognosis in advanced stages. This study explored shifts in circulating metabolite levels in NSCLC p...
Amino acid metabolomics and machine learning-driven assessment of future liver remnant growth after hepatectomy in livers of various backgrounds.
Journal of pharmaceutical and biomedical analysis
Jul 23, 2024
Accurate assessment of future liver remnant growth after partial hepatectomy (PH) in patients with different liver backgrounds is a pressing clinical issue. Amino acid (AA) metabolism plays a crucial role in liver regeneration. In this study, we comb...
Self-organizing maps for exploration and classification of nuclear magnetic resonance spectra for untargeted metabolomics of breast cancer.
Journal of pharmaceutical and biomedical analysis
Jul 21, 2024
Metabolomics has emerged as a powerful tool for identifying biomarkers of disease, and nuclear magnetic resonance (NMR) spectroscopy allows for the simultaneous detection of a wide range of metabolites. However, due to complex interactions within met...
Resolution Enhancement of Metabolomic J-Res NMR Spectra Using Deep Learning.
Analytical chemistry
Jul 11, 2024
J-Resolved (J-Res) nuclear magnetic resonance (NMR) spectroscopy is pivotal in NMR-based metabolomics, but practitioners face a choice between time-consuming high-resolution (HR) experiments or shorter low-resolution (LR) experiments which exhibit si...
Multi-omics based artificial intelligence for cancer research.
Advances in cancer research
Jul 9, 2024
With significant advancements of next generation sequencing technologies, large amounts of multi-omics data, including genomics, epigenomics, transcriptomics, proteomics, and metabolomics, have been accumulated, offering an unprecedented opportunity ...
Multi-Omics Analysis by Machine Learning Identified Lysophosphatidic Acid as a Biomarker and Therapeutic Target for Porcine Reproductive and Respiratory Syndrome.
Advanced science (Weinheim, Baden-Wurttemberg, Germany)
Jul 8, 2024
As a significant infectious disease in livestock, porcine reproductive and respiratory syndrome (PRRS) imposes substantial economic losses on the swine industry. Identification of diagnostic markers and therapeutic targets has been a focal challenge ...
Predicting Collision Cross-Section Values for Small Molecules through Chemical Class-Based Multimodal Graph Attention Network.
Journal of chemical information and modeling
Jul 3, 2024
Libraries of collision cross-section (CCS) values have the potential to facilitate compound identification in metabolomics. Although computational methods provide an opportunity to increase library size rapidly, accurate prediction of CCS values rema...
Discovery of urinary biosignatures for tuberculosis and nontuberculous mycobacteria classification using metabolomics and machine learning.
Scientific reports
Jul 3, 2024
Nontuberculous mycobacteria (NTM) infection diagnosis remains a challenge due to its overlapping clinical symptoms with tuberculosis (TB), leading to inappropriate treatment. Herein, we employed noninvasive metabolic phenotyping coupled with comprehe...
Area Under Curve
Amino Acids
Random Forest
Tuberculosis
Liquid Chromatography-Mass Spectrometry
Metabolome
Biomarkers
Diagnosis, Differential
Aged
Humans
Metabolomics
Male
Machine Learning
Models, Statistical
Phenotype
Middle Aged
ROC Curve
Mycobacterium Infections, Nontuberculous
Down-Regulation
Up-Regulation
A Support Vector Machine-Assisted Metabolomics Approach for Non-Targeted Screening of Multi-Class Pesticides and Veterinary Drugs in Maize.
Molecules (Basel, Switzerland)
Jun 26, 2024
The contamination risks of plant-derived foods due to the co-existence of pesticides and veterinary drugs (P&VDs) have not been fully understood. With an increasing number of unexpected P&VDs illegally added to foods, it is essential to develop a non...
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