Application of Raman spectroscopy and Machine Learning algorithms for fruit distillates discrimination

Abstract

Through this pilot study, the association between Raman spectroscopy and Machine Learning algorithms were used for the first time with the purpose of distillates differentiation with respect to trademark, geographical and botanical origin. Two spectral Raman ranges (region I—200–600 cm ⁻¹ and region II—1200–1400 cm ⁻¹) appeared to have the higher discrimination potential for the investigated distillates. The proposed approach proved to be a very effective one for trademark fingerprint differentiation, a model accuracy of 95.5% being obtained (only one sample was misclassified). A comparable model accuracy (90.9%) was achieved for the geographical discrimination of the fruit spirits which can be considered as a very good one taking into account that this classification was made inside Transylvania region, among neighbouring areas. Because the trademark fingerprint is the prevailing one, the successfully distillate type differentiation, with respect to the fruit variety, was possible to be made only inside of each producing entity.