AIMC Topic: Lipidomics
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Toward Machine Learning Electrospray Ionization Sensitivity Prediction for Semiquantitative Lipidomics in Stem Cells.
Journal of chemical information and modeling
Feb 5, 2025
Specificity, sensitivity, and high metabolite coverage make mass spectrometry (MS) one of the most valuable tools in metabolomics and lipidomics. However, translation of metabolomics MS methods to multiyear studies conducted across multiple batches i...
Machine learning-driven Raman spectroscopy: A novel approach to lipid profiling in diabetic kidney disease.
Nanomedicine : nanotechnology, biology, and medicine
Jan 22, 2025
Diabetes mellitus is a chronic metabolic disease that increasingly affects people every year. It is known that with its progression and poor management, metabolic changes can lead to organ dysfunctions, including kidneys. The study aimed to combine R...
Screening of serum biomarkers in patients with PCOS through lipid omics and ensemble machine learning.
PloS one
Jan 7, 2025
Polycystic ovary syndrome (PCOS) is a primary endocrine disorder affecting premenopausal women involving metabolic dysregulation. We aimed to screen serum biomarkers in PCOS patients using untargeted lipidomics and ensemble machine learning. Serum fr...
Enhancing lipid identification in LC-HRMS data through machine learning-based retention time prediction.
Journal of chromatography. A
Jan 3, 2025
The comprehensive identification of peaks in untargeted lipidomics using LC-MS/MS remains a significant challenge. Confidence in lipid annotation can be greatly improved by integrating a highly accurate machine learning-based retention time predictio...
LipoCLEAN: A Machine Learning Filter to Improve Untargeted Lipid Identification Confidence.
Analytical chemistry
Dec 23, 2024
In untargeted lipidomics experiments, putative lipid identifications generated by automated analysis software require substantial manual filtering to arrive at usable high-confidence data. However, identification software tools do not make full use o...
Combination of plasma-based lipidomics and machine learning provides a useful diagnostic tool for ovarian cancer.
Journal of pharmaceutical and biomedical analysis
Nov 2, 2024
Ovarian cancer (OC), the second leading cause of death among gynecological cancers, is often diagnosed at an advanced stage due to its asymptomatic nature at early stages. This study aimed to explore the diagnostic potential of plasma-based lipidomic...
Machine learning and biological validation identify sphingolipids as potential mediators of paclitaxel-induced neuropathy in cancer patients.
eLife
Sep 30, 2024
BACKGROUND: Chemotherapy-induced peripheral neuropathy (CIPN) is a serious therapy-limiting side effect of commonly used anticancer drugs. Previous studies suggest that lipids may play a role in CIPN. Therefore, the present study aimed to identify th...
Lipidomics combined with random forest machine learning algorithms to reveal freshness markers for duck eggs during storage in different rearing systems.
Poultry science
Aug 14, 2024
The differences in lipids in duck eggs between the 2 rearing systems during storage have not been fully studied. Herein, we propose untargeted lipidomics combined with a random forest (RF) algorithm to identify potential marker lipids based on ultra-...
Exploring molecular mechanisms underlying changes in lipid fingerprinting of salmon (Salmo salar) during air frying integrating machine learning-guided REIMS and lipidomics analysis.
Food chemistry
Aug 5, 2024
Lipid oxidation in air-fried seafood poses a risk to human health. However, the effect of a prooxidant environment on lipid oxidation in seafood at different air frying (AF) temperatures remains unknown. An integrated machine learning (ML) - guided R...
Predicting Non-Alcoholic Steatohepatitis: A Lipidomics-Driven Machine Learning Approach.
International journal of molecular sciences
May 29, 2024
Nonalcoholic fatty liver disease (NAFLD), nowadays the most prevalent chronic liver disease in Western countries, is characterized by a variable phenotype ranging from steatosis to nonalcoholic steatohepatitis (NASH). Intracellular lipid accumulation...
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