Boosting comprehensive two-dimensional chromatography with artificial intelligence: Application to food-omics
Andrea Caratti, Simone Squara, Carlo Bicchi, Erica Liberto, Marco Vincenti, Stephen E. Reichenbach, Qingping Tao, Daniel Geschwender, Eugenio Alladio, Chiara Cordero
Abstract
The unceasing evolution of analytical instrumentation determines an exponential increase of data production, which in turn boosts new cutting-edge analytical challenges, requiring a progressive integration of artificial intelligence (AI) algorithms into the instrumental data treatment software. Machine learning, deep learning, and computer vision are the most common techniques adopted to exploit the information potential of advanced analytical chemistry measures. In this paper, our primary focus is on elucidating the remarkable advantages of leveraging AI tools for comprehensive two-dimensional gas chromatography data (pre)processing. We illustrate how AI techniques can efficiently explore the complex datasets derived from multidimensional platforms combining comprehensive two-dimensional separations with mass spectrometry in the challenging application area of food-omics. Pattern recognition based on image processing, computer vision, and AI smelling are discussed by introducing the principles of operation, reviewing available tools and software solutions, and illustrating their potentials and limitations through selected applications.