AI Medical Compendium Journal:
Metabolomics : Official journal of the Metabolomic Society

Showing 1 to 10 of 12 articles

Identification of metabolite-disease associations based on knowledge graph.

Metabolomics : Official journal of the Metabolomic Society
BACKGROUND: Despite the insights that metabolite analysis can provide into the onset, development, and progression of diseases-thus offering new concepts and methodologies for prevention, diagnosis, and treatment-traditional wet lab experiments are o...

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 ...

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 ...

Feature impact assessment: a new score to identify relevant metabolomics features in artificial neural networks using validated labels.

Metabolomics : Official journal of the Metabolomic Society
INTRODUCTION: Artificial Neural Networks (ANN) are increasingly used in metabolomics but are hard to interpret.

MetaClean: a machine learning-based classifier for reduced false positive peak detection in untargeted LC-MS metabolomics data.

Metabolomics : Official journal of the Metabolomic Society
INTRODUCTION: Despite the availability of several pre-processing software, poor peak integration remains a prevalent problem in untargeted metabolomics data generated using liquid chromatography high-resolution mass spectrometry (LC-MS). As a result,...

Improving lipid mapping in Genome Scale Metabolic Networks using ontologies.

Metabolomics : Official journal of the Metabolomic Society
INTRODUCTION: To interpret metabolomic and lipidomic profiles, it is necessary to identify the metabolic reactions that connect the measured molecules. This can be achieved by putting them in the context of genome-scale metabolic network reconstructi...

Migrating from partial least squares discriminant analysis to artificial neural networks: a comparison of functionally equivalent visualisation and feature contribution tools using jupyter notebooks.

Metabolomics : Official journal of the Metabolomic Society
INTRODUCTION: Metabolomics data is commonly modelled multivariately using partial least squares discriminant analysis (PLS-DA). Its success is primarily due to ease of interpretation, through projection to latent structures, and transparent assessmen...

Machine learning distilled metabolite biomarkers for early stage renal injury.

Metabolomics : Official journal of the Metabolomic Society
INTRODUCTION: With chronic kidney disease (CKD), kidney becomes damaged overtime and fails to clean blood. Around 15% of US adults have CKD and nine in ten adults with CKD do not know they have it.

The application of artificial neural networks in metabolomics: a historical perspective.

Metabolomics : Official journal of the Metabolomic Society
BACKGROUND: Metabolomics data, with its complex covariance structure, is typically modelled by projection-based machine learning (ML) methods such as partial least squares (PLS) regression, which project data into a latent structure. Biological data ...

Recognition of early and late stages of bladder cancer using metabolites and machine learning.

Metabolomics : Official journal of the Metabolomic Society
INTRODUCTION: Bladder cancer (BCa) is one of the most common and aggressive cancers. It is the sixth most frequently occurring cancer in men and its rate of occurrence increases with age. The current method of BCa diagnosis includes a cystoscopy and ...