Increasing knowledge of odors and molecular structures linkages of smell compounds by comparing UMAP method to other classification approaches

2021

International audience; The olfactory perception begins at the olfactory epithelium level with the activation of olfactory receptors (ORs) by the binding of odorants1. The olfactory system can discriminate a huge number of odors that would reach 1 trillion2. Odor structure relationships in olfaction is a challenging area and a key element in understanding the olfactory system3-5. This study aims to highlight the relationships between the structure of smell compounds and their odors. For this purpose, 6038 odorant compounds and their known associated odors (162 odor notes) were compiled. We assessed four dimensional reduction techniques (PCA, MDS, t-SNE and UMAP6) and two clustering methods …