Related Experiment Video
Updated: Feb 11, 2026

Untargeted Liquid Chromatography-Mass Spectrometry-Based Metabolomics Analysis of Wheat Grain
Published on: March 13, 2020
A Machine Learning Application Based in Random Forest for Integrating Mass Spectrometry-Based Metabolomic Data: A
Carlos Fernando Odir Rodrigues Melo1, Luiz Claudio Navarro2, Diogo Noin de Oliveira1
1Innovare Biomarkers Laboratory, School of Pharmaceutical Sciences (FCF), University of Campinas, Campinas, Brazil.
Abstract:
Recent Zika outbreaks in South America, accompanied by unexpectedly severe clinical complications have brought much interest in fast and reliable screening methods for ZIKV (Zika virus) identification. Reverse-transcriptase polymerase chain reaction (RT-PCR) is currently the method of choice to detect ZIKV in biological samples. This approach, nonetheless, demands a considerable amount of time and resources such as kits and reagents that, in endemic areas, may result in a substantial financial burden over affected individuals and health services veering away from RT-PCR analysis. This study presents a powerful combination of high-resolution mass spectrometry and a machine-learning prediction model for data analysis to assess the existence of ZIKV infection across a series of patients that bear similar symptomatic conditions, but not necessarily are infected with the disease. By using mass spectrometric data that are inputted with the developed decision-making algorithm, we were able to provide a set of features that work as a "fingerprint" for this specific pathophysiological condition, even after the acute phase of infection. Since both mass spectrometry and machine learning approaches are well-established and have largely utilized tools within their respective fields, this combination of methods emerges as a distinct alternative for clinical applications, providing a diagnostic screening-faster and more accurate-with improved cost-effectiveness when compared to existing technologies.
Related Concept Videos
Applications of Integration to Find Centers of Mass
Random Sampling Method
Mass Spectrometry: Overview
Tandem Mass Spectrometry
Mass Spectrometry of Amines
Mass Spectrometry: Isotope Effect

