QSAR Study on the Flavor Intensity of Flavor Compositions in Foods by Electronegativity Distance Vector and Quantum Chemical Parameters

Based on the revision of the electronegativity distance vector(M_k),the quantum chemical parameters(Q_i),and the leaps-and-bounds regression,three-parameter mathematics models with four types crockors of twelve flavor molecules in food have been built.These models are robust after they are verified by using V_IF test and F test.Results show that the functional groups,such as —CH₃,—CH,—OH and —O—,and E_homo,ΔE of a molecule produce great influence on the crockors of the flavor compounds.