A simple and reliable QSPR model for prediction of chromatography retention indices of volatile organic compounds in peppers
Shahin Ahmadi, Shahram Lotfi, Hamideh Hamzehali, Prof Parvin Kumar
Abstract
A simple and reliable QSPR model for the retention indices (RIs) of 273 identified volatile organic compounds (VOCs) of different types of pepper was developed with CORAL software. The proposed theoretical model is applied to estimate the retention indices (RIs) of new VOCs.
Topics & Concepts
Quantitative structure–activity relationshipKovats retention indexChemistryRetention timeChromatographySimple (philosophy)Gas chromatographyStereochemistryEpistemologyPhilosophyAdvanced Chemical Sensor TechnologiesComputational Drug Discovery MethodsEssential Oils and Antimicrobial Activity