Development of Quantitative Structure-Property Relationship (QSPR) Models of Aspartyl-Derivatives Based on Eigenvalues (EVA) of Calculated Vibrational Spectra

In present study, validated linear quantitative structure-property (sweetness) relationship (QSPR) models were developed, based on an experimental sweetness index and the calculated vibrational spectra of 158 aspartyl-derivatives. The quantum chemical AM1 method was applied to calculate the vibrational spectra of the compounds. The EVA descriptors were derived from the vibrational spectra for a combination of various values of σ (2.5, 5, 10,20...