Modelling Flavour Release through Quantitative Structure Property Relationships (QSPR)

Abstract

The use of QSPR to explain the partition behaviour of flavour compounds in different matrices and to predict dynamic flavour release from certain food systems is described. QSPR has been applied in the pharmaceutical and environmental areas to predict properties like the efficacy of drugs (with different substitutions) or behaviours like the accumulation of pollutants in fish, despite the fact that the exact mechanisms are unknown. QSPR relies on the fact that the physicochemical properties of the molecules are responsible for their behaviour and properties in these systems. The models are relatively easy to produce but there are limitations associated with their use outside the defined experimental conditions. The background to modelling flavour partition and release is given, along with examples of relevant QSPR models.