AIMC Topic: Metabolomics
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QuanFormer: A Transformer-Based Precise Peak Detection and Quantification Tool in LC-MS-Based Metabolomics.
Analytical chemistry
Jan 27, 2025
In metabolomic analysis based on liquid chromatography coupled with mass spectrometry, detecting and quantifying intricate objects is a massive job. Current peak picking methods still cause high rates of incorrectly picked peaks to influence the reli...
Machine learning-based classification and prediction of typical Chinese green tea taste profiles.
Food research international (Ottawa, Ont.)
Jan 27, 2025
The taste of Chinese green tea is highly diverse. In this study, a combination of unsupervised and supervised learning methods was utilized to develop a model for classifying and predicting typical Chinese green tea taste. Three clustering methods we...
Perspective: Multiomics and Artificial Intelligence for Personalized Nutritional Management of Diabetes in Patients Undergoing Peritoneal Dialysis.
Advances in nutrition (Bethesda, Md.)
Jan 20, 2025
Managing diabetes in patients on peritoneal dialysis (PD) is challenging due to the combined effects of dietary glucose, glucose from dialysate, and other medical complications. Advances in technology that enable continuous biological data collection...
ABCoRT: Retention Time Prediction for Metabolite Identification via Atom-Bond Co-Learning.
Journal of chemical information and modeling
Jan 16, 2025
Liquid chromatography retention time (RT) prediction plays a crucial role in metabolite identification, a challenging and essential task in untargeted metabolomics. Accurate molecular representation is vital for reliable RT prediction. To address thi...
Precision fetal cardiology detects cyanotic congenital heart disease using maternal saliva metabolome and artificial intelligence.
Scientific reports
Jan 15, 2025
Prenatal sonographic diagnosis of congenital heart disease (CHD) can lead to improved morbidity and mortality. However, the diagnostic accuracy of ultrasound, the sole prenatal screening tool, remains limited. Failed prenatal or early newborn detecti...
Machine learning and multi-omics in precision medicine for ME/CFS.
Journal of translational medicine
Jan 14, 2025
Myalgic Encephalomyelitis/Chronic Fatigue Syndrome (ME/CFS) is a complex and multifaceted disorder that defies simplistic characterisation. Traditional approaches to diagnosing and treating ME/CFS have often fallen short due to the condition's hetero...
Discrimination of Benign and Malignant Thyroid Nodules through Comparative Analyses of Human Saliva Samples via Metabolomics and Deep-Learning-Guided Label-free SERS.
ACS applied materials & interfaces
Jan 8, 2025
Thyroid nodules are a very common entity. The overall prevalence in the populace is estimated to be around 65-68%, among which a small portion (less than 5%) is malignant (cancerous). Therefore, it is important to discriminate benign thyroid nodules ...
Investigation of alpha-glucosidase inhibition activity of Artabotrys sumatranus leaf extract using metabolomics, machine learning and molecular docking analysis.
PloS one
Jan 3, 2025
One way to treat diabetes mellitus type II is by using α-glucosidase inhibitor, that will slow down the postprandial glucose intake. Metabolomics analysis of Artabotrys sumatranus leaf extract was used in this research to predict the active compounds...
NMRformer: A Transformer-Based Deep Learning Framework for Peak Assignment in 1D H NMR Spectroscopy.
Analytical chemistry
Jan 2, 2025
Metabolite identification from 1D H NMR spectra is a major challenge in NMR-based metabolomics. This study introduces NMRformer, a Transformer-based deep learning framework for accurate peak assignment and metabolite identification in 1D H NMR spectr...
Deep learning-based metabolomics data study of prostate cancer.
BMC bioinformatics
Dec 26, 2024
As a heterogeneous disease, prostate cancer (PCa) exhibits diverse clinical and biological features, which pose significant challenges for early diagnosis and treatment. Metabolomics offers promising new approaches for early diagnosis, treatment, and...
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