Chemoinformatics, Artificial Intelligence, and Food Chemistry

Abstract

In the last few years, computational methods covering Chemoinformatics and Artificial Intelligence (AI) have had a significant impact on the development of Chemistry in its multiple areas. Applications range from storage, organization, and searching of chemical data, to their processing and modeling to generate information and knowledge. Examples of large applications of chemoinformatic methods and AI in Chemistry are understanding at a molecular level the structure-property relationship of known compounds, the prediction of properties for new compounds, and the design of new chemical structures with a desired property profile. All these techniques have been applied to Food Chemistry. The objective of this review is then to present and discuss in a critical approach the methods of Chemoinformatics and AI, as well as their applications in the study of the chemical compounds present in foods.