The present study proposes the development of new wine recognition models based on Artificial Intelligence (AI) applied to the mid-level data fusion of H NMR and Raman data. In this regard, a supervised machine learning method, namely Support Vector ...
Journal of pharmaceutical and biomedical analysis
39047464
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...
Journal of magnetic resonance (San Diego, Calif. : 1997)
39299053
In the case of limited sampling windows or truncation of free induction decays (FIDs) for artifact removal in proton magnetic resonance spectroscopy (H-MRS) and spectroscopic imaging (H-MRSI), metabolite quantification needs to be performed on incomp...
Machine learning and artificial intelligence tools were used to investigate the discriminatory potential of blood serum metabolites for thromboembolism and antiphospholipid syndrome (APS). H-NMR-based metabonomics data of the serum samples of patient...
PURPOSE: Proton magnetic resonance spectroscopic imaging ( -MRSI) provides noninvasive spectral-spatial mapping of metabolism. However, long-standing problems in whole-brain -MRSI are spectral overlap of metabolite peaks with large lipid signal fro...
BACKGROUND: Preoperative and noninvasive detection of isocitrate dehydrogenase (IDH) and telomerase reverse transcriptase gene promoter (TERTp) mutations in glioma is critical for prognosis and treatment planning. This study aims to develop deep lear...
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...
BACKGROUND: Cirrhosis is a leading cause of mortality in patients with chronic liver disease (CLD). The rapid development of metabolomic technologies has enabled the capture of metabolic changes related to the progression of cirrhosis.
Journal of chemical information and modeling
40044424
This study presents a novel approach to H NMR-based machine learning (ML) models for predicting logD using computer-generated H NMR spectra. Building on our previous work, which integrated experimental H NMR data, this study addresses key limitations...
Solitary fibrous tumor (SFT), formerly known as hemangiopericytoma, is an uncommon brain tumor often confused with meningioma on MRI. Unlike meningiomas, SFTs exhibit a myoinositol peak on magnetic resonance spectroscopy (MRS). This study aimed to de...