Visual analysis of odor interaction based on support vector regression method

Abstract

The complex odor interaction between odorants makes it difficult to predict the odor intensity of their mixtures. The analysis method is currently one of the factors limiting our understanding of the odor interaction laws. We used a support vector regression algorithm to establish odor intensity prediction models for binary esters, aldehydes, and aromatic hydrocarbon mixtures, respectively. The prediction accuracy to both training samples and test samples demonstrated the high prediction capacity of the support vector regression model. Then the optimized model was used to generate extra odor data by predicting the odor intensity of more simulated samples with various mixing ratios and concentration levels. Based on these olfactory measured and model predicted data, the odor interaction was analyzed in the form of contour maps. This intuitive method showed more details about the odor interaction pattern in the binary mixture. We found that that the antagonism effect was commonly observed in these binary mixtures and the interaction degree was more intense when the components’ mixing ratio was close. Meanwhile, the odor intensity level of the odor mixture barely influenced the interaction degree. The machine learning algorithms were considered promising tools in odor researches.