Integrating Machine Learning in Metabolomics: A Path to Enhanced Diagnostics and Data Interpretation

Metabolomics, leveraging techniques like NMR and MS, is crucial for understanding biochemical processes in pathophysiological states. This field, however, faces challenges in metabolite sensitivity, data complexity, and omics data integration. Recent machine learning advancements have enhanced data analysis and disease classification in metabolomics. This study explores machine learning integration with metabolomics to improve metabolite identification, data efficiency, and diagnostic methods. Using deep learning and traditional machine learning, it presents advancements in metabolic data analysis, including novel algorithms for accurate peak identification, robust disease classification from metabolic profiles, and improved metabolite annotation. It also highlights multiomics integration, demonstrating machine learning's potential in elucidating biological phenomena and advancing disease diagnostics. This work contributes significantly to metabolomics by merging it with machine learning, offering innovative solutions to analytical challenges and setting new standards for omics data analysis. In the article, the author describes the merger of machine learning with metabolomics to enhance metabolite identification, data use, and diagnostics. It employs algorithms to advance metabolic data analysis for peak identification, disease classification from metabolic profiles, metabolite annotation and multi-omics integration. The research significantly advances metabolomics by providing novel analytical solutions and establishing new benchmarks for omics data analysis. image