“…Optimal application of these analytical techniques, in particular of the complex information contained in the HR NMR spectra, requires the use of advanced chemometrics in order to obtain correct classifications, such as principal component analysis (PCA), probabilistic neural networks (PNN) (Aursand, Standal, & Axelson, 2007;Specht, 1990), Bayesian belief networks (BBN) (Glover et al, 2008;Heckerman, Geiger, & Chickering, 1995) or support vector machines (SVM) (Masoum et al, 2007).…”