Can we describe an odorous compound in words simply by looking at its chemical structure? This exercise is a challenge for scientists and an utopia for the perfume and fragrance industry.
Researchers at the Centre de recherche en neurosciences de Lyon (CRNL), the Institut de chimie de Nice (ICN) and the Laboratoire d’informatique en images et systèmes d’information (LIRIS) have now combined innovative approaches to data mining with chemical property calculations to establish rules for doing just this. Their work, which is published in Plos Computational Biology, is an important first step towards the rational design of fragrance compounds.
Reference: Chemical features mining provides new descriptive structure-odor relationships. Licon CC, Bosc G, Sabri M, Mantel M, Fournel A, Bushdid C, Golebiowski J, Robardet C, Plantevit M, Kaytoue M, Bensafi M. PLoS Comput Biol. 10.1371/journal.pcbi.1006945