Prediction of pK values, half-lives, and electronic spectra of flavylium salts from molecular structure

Simple QSAR/QSPR models have been developed which enable the prediction of the pK values and half-lives of flavylium salts as a function of their molecular descriptors. On the basis of these results, as well as calculated UV-vis spectra, flavylium salt model structures are proposed, which are expected to be useful as potential food dyes.