Dynamic Localized SNV, Peak SNV, and Partial Peak SNV: Novel Standardization Methods for Preprocessing of Spectroscopic Data Used in Predictive Modeling

Figure 9

Box-and-whisker plot representation of the root-mean-squared error of prediction of the cross validation strategy (50 folds, random train test split of 70/30% of the data) for the friction modifier compound of ATF A. In (a), the RMSEP values for the transmission spectra are shown, and in (b), the RMSEP values for the absorbance spectra are shown. Boxplot (1) is without standardization, (2) is with a single SNV transformation on the full spectrum, (3) is with optimized LSNV, (4) is with optimized Dynamic DLSNV, (5) is with optimized PSNV, and (6) is with optimized PPSNV.