AIMC Topic: Metabolomics

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Machine learning based metabolomic and genetic profiles for predicting multiple brain phenotypes.

Journal of translational medicine
BACKGROUND: It is unclear regarding the association between metabolomic state/genetic risk score(GRS) and brain volumes and how much of variance of brain volumes is attributable to metabolomic state or GRS.

Integrating omics data and machine learning techniques for precision detection of oral squamous cell carcinoma: evaluating single biomarkers.

Frontiers in immunology
INTRODUCTION: Early detection of oral squamous cell carcinoma (OSCC) is critical for improving clinical outcomes. Precision diagnostics integrating metabolomics and machine learning offer promising non-invasive solutions for identifying tumor-derived...

Integrating Metabolomics Domain Knowledge with Explainable Machine Learning in Atherosclerotic Cardiovascular Disease Classification.

International journal of molecular sciences
Metabolomic data often present challenges due to high dimensionality, collinearity, and variability in metabolite concentrations. Machine learning (ML) application in metabolomic analyses is enabling the extraction of meaningful information from comp...

Promoting LC-QToF based non-targeted fingerprinting and biomarker selection with machine learning for the discrimination of black tea geographical origin.

Food chemistry
Traceability and mislabelling of black tea for their geographical origin is known as a major fraud concern of the sector. Discrimination among various geographical indications (GIs) can be challenging due to the complexity of chemical fingerprints in...

The Application of Machine Learning in Doping Detection.

Journal of chemical information and modeling
Detecting doping agents in sports poses a significant challenge due to the continuous emergence of new prohibited substances and methods. Traditional detection methods primarily rely on targeted analysis, which is often labor-intensive and is suscept...

Interpretable Machine Learning Algorithms Identify Inetetamab-Mediated Metabolic Signatures and Biomarkers in Treating Breast Cancer.

Journal of clinical laboratory analysis
BACKGROUND: HER2-positive breast cancer (BC), a highly aggressive malignancy, has been treated with the targeted therapy inetetamab for metastatic cases. Inetetamab (Cipterbin) is a recently approved targeted therapy for HER2-positive metastatic BC, ...

Accurate non-invasive detection of MASH with fibrosis F2-F3 using a lightweight machine learning model with minimal clinical and metabolomic variables.

Metabolism: clinical and experimental
BACKGROUND: There are no known non-invasive tests (NITs) designed for accurately detecting metabolic dysfunction-associated steatohepatitis (MASH) with liver fibrosis stages F2-F3, excluding cirrhosis-the FDA-defined range for prescribing Resmetirom ...

Advantages of Metabolomics-Based Multivariate Machine Learning to Predict Disease Severity: Example of COVID.

International journal of molecular sciences
The COVID-19 outbreak caused saturations of hospitals, highlighting the importance of early patient triage to optimize resource prioritization. Herein, our objective was to test if high definition metabolomics, combined with ML, can improve prognosti...

Enhancing type 2 diabetes mellitus prediction by integrating metabolomics and tree-based boosting approaches.

Frontiers in endocrinology
BACKGROUND: Type 2 diabetes mellitus (T2DM) is a global health problem characterized by insulin resistance and hyperglycemia. Early detection and accurate prediction of T2DM is crucial for effective management and prevention. This study explores the ...

Identification of novel hypertension biomarkers using explainable AI and metabolomics.

Metabolomics : Official journal of the Metabolomic Society
BACKGROUND: The global incidence of hypertension, a condition of elevated blood pressure, is rising alarmingly. According to the World Health Organization's Qatar Hypertension Profile for 2023, around 33% of adults are affected by hypertension. This ...