Method for Predicting Odor Intensity of Perfumery Raw Materials Using Dose–Response Curve Database

Abstract

The main purpose of this study is to facilitate fragrance development on the basis of scientific knowledge. To this end, data on 314 perfumery raw materials (PRMs) showing the relationship between PRM odor intensity and gas concentration were obtained, and a calculation model for the data was then developed with the following features: (1) maximum PRM coverage, (2) calculating values implying odor intensity from only arbitrary gas concentration, and (3) estimating odor intensity from the calculated values directly and easily. To verify the prediction accuracy of this model, the predicted odor intensity was compared with the evaluated value for both single component and a mixture, and the same degree of root-mean-square error (RMSE) was confirmed. RMSE in the single component was 6.22 while that in the mixture was 6.69. Thus, the odor intensity of a PRM or mixture can be predicted from arbitrary gas concentrations.