Revealing Comprehensive Food Functionalities and Mechanisms of Action through Machine Learning

J Chem Inf Model. 2024 Jul 22;64(14):5712-5724. doi: 10.1021/acs.jcim.4c00061. Epub 2024 Jul 1.

Abstract

Foods possess a range of unexplored functionalities; however, fully identifying these functions through empirical means presents significant challenges. In this study, we have proposed an in silico approach to comprehensively predict the functionalities of foods, encompassing even processed foods. This prediction is accomplished through the utilization of machine learning on biomedical big data. Our focus revolves around disease-related protein pathways, wherein we statistically evaluate how the constituent compounds collaboratively regulate these pathways. The proposed method has been employed across 876 foods and 83 diseases, leading to an extensive revelation of both food functionalities and their underlying operational mechanisms. Additionally, this approach identifies food combinations that potentially affect molecular pathways based on interrelationships between food functions within disease-related pathways. Our proposed method holds potential for advancing preventive healthcare.

MeSH terms

  • Big Data
  • Computer Simulation
  • Food
  • Humans
  • Machine Learning*