Resumen
Odor is a very serious problem worldwide. Thus, odor prediction research has been conducted consistently to help prevent odor. Odor substances that are complex odors are known, but complex odors and odor substances do not have a linear dependence. In addition, depending on the combination of odor substances, the causal relationships, such as synergy and antagonism, are different for complex odors. Research is needed to know this, but the situation is incomplete. Therefore, in this study, research was conducted through data-based research. The complex odor was predicted using various machine learning methods, and the effect of odor substances on the complex odor was verified using an explainable artificial intelligence method. In this study, according to the Malodor Prevention Act in Korea, complex odors are divided into two categories: acceptable and unacceptable. Analysis of variance and correlation analysis were used to determine the relationships between variables. Six machine learning methods (k-nearest neighbor, support vector classification, random forest, extremely randomized tree, eXtreme gradient boosting, and light gradient boosting machine) were used as predictive classification models, and the best predictive method was chosen using various evaluation metrics. As a result, the support vector machine that performed best in five out of six evaluation metrics was selected as the best model (f1-score = 0.7722, accuracy = 0.8101, sensitivity = 0.7372, specificity = 0.8656, positive predictive value = 0.8196, and negative predictive value = 0.8049). In addition, the partial dependence plot method from explainable artificial intelligence was used to understand the influence and interaction effects of odor substances.