Advanced Multimodeling for Isotopic and Elemental Content of Fruit Juices

The aim of the present study was to test the prediction ability of three different supervised chemometric algorithms, such as linear discriminant analysis (LDA), k-nearest Neighbor (k-NN) and artificial neural networks (ANNs), for fruit juice classification and differentiation, based on isotopic and multielemental content. To accomplish this, a large experimental dataset was analyzed using inductively coupled plasma mass spectrometry (ICP-MS) together with isotope ratio mass spectrometry (IRMS), and a low data fusion approach was applied. Three classifications were tested, namely the following: (i) fruit differentiation of different juice types; (ii) apple and orange juice differentiation; and (iii) distinguishing between processed versus directly pressed apple juices. The results demonstrated that ANNs can offer the most accurate results, compared with LDA and k-NN, for all three cases of classification, highlighting once again the advantages of deep learning models for modeling complex data. The work revealed the higher potential of advanced chemometric methods for accurate classification of fruit juices, compared with traditional approaches. This approach could represent a realistic tool for ensuring the juice’s quality and safety, along with complying with regulations and combating fraud.