AIMC Topic: Metabolomics

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Metabolomics-Based Machine Learning for Predicting Mortality: Unveiling Multisystem Impacts on Health.

International journal of molecular sciences
Reliable predictors of long-term all-cause mortality are needed for middle-aged and older populations. Previous metabolomics mortality studies have limitations: a low number of participants and metabolites measured, measurements mainly using nuclear ...

Advancing Anticancer Drug Discovery: Leveraging Metabolomics and Machine Learning for Mode of Action Prediction by Pattern Recognition.

Advanced science (Weinheim, Baden-Wurttemberg, Germany)
A bottleneck in the development of new anti-cancer drugs is the recognition of their mode of action (MoA). Metabolomics combined with machine learning allowed to predict MoAs of novel anti-proliferative drug candidates, focusing on human prostate can...

Combining metabolomics and machine learning to discover biomarkers for early-stage breast cancer diagnosis.

PloS one
There is an urgent need for better biomarkers for the detection of early-stage breast cancer. Utilizing untargeted metabolomics and lipidomics in conjunction with advanced data mining approaches for metabolism-centric biomarker discovery and validati...

Artificial neural network-based prediction of multiple sclerosis using blood-based metabolomics data.

Multiple sclerosis and related disorders
Multiple sclerosis (MS) remains a challenging neurological condition for diagnosis and management and is often detected in late stages, delaying treatment. Artificial intelligence (AI) is emerging as a promising approach to extracting MS information ...

Integrating HRMAS-NMR Data and Machine Learning-Assisted Profiling of Metabolite Fluxes to Classify Low- and High-Grade Gliomas.

Interdisciplinary sciences, computational life sciences
Diagnosing and classifying central nervous system tumors such as gliomas or glioblastomas pose a significant challenge due to their aggressive and infiltrative nature. However, recent advancements in metabolomics and magnetic resonance spectroscopy (...

Utilization of a natural language processing-based approach to determine the composition of artifact residues.

BMC bioinformatics
BACKGROUND: Determining the composition of artifact residues is a central problem in ancient residue metabolomics. This is done by comparing mass spectral features in common with an experimental artifact and an ancient artifact (standard method). Whi...

Metabolomic profiling of dengue infection: unraveling molecular signatures by LC-MS/MS and machine learning models.

Metabolomics : Official journal of the Metabolomic Society
BACKGROUND & OBJECTIVE: The progression of dengue fever to severe dengue (SD) is a major public health concern that impairs the capacity of the medical system to predict and treat dengue patients. Hence, the present study used a metabolomic approach ...

Untargeted Metabolomics and Soil Community Metagenomics Analyses Combined with Machine Learning Evaluation Uncover Geographic Differences in Ginseng from Different Locations.

Journal of agricultural and food chemistry
C.A. Meyer, known as the "King of Herbs," has been used as a nutritional supplement for both food and medicine with the functions of relieving fatigue and improving immunity for thousands of years in China. In agricultural planting, soil environment...

Nuclear magnetic resonance-based metabolomics with machine learning for predicting progression from prediabetes to diabetes.

eLife
BACKGROUND: Identification of individuals with prediabetes who are at high risk of developing diabetes allows for precise interventions. We aimed to determine the role of nuclear magnetic resonance (NMR)-based metabolomic signature in predicting the ...

Serum targeted metabolomics uncovering specific amino acid signature for diagnosis of intrahepatic cholangiocarcinoma.

Journal of pharmaceutical and biomedical analysis
Intrahepatic cholangiocarcinoma (iCCA) is a hepatobiliary malignancy which accounts for approximately 5-10 % of primary liver cancers and has a high mortality rate. The diagnosis of iCCA remains significant challenges owing to the lack of specific an...