While it is generally agreed that the physicochemical characteristics of odorants affect the olfactory percept, no precise rules governing this "chemical structure / odor" relation have yet been determined. One obstacle to this is the large number of dimensions – several thousand – needed to describe the molecules and, above all, a lack of data-processing methods suitable for this level of complexity. Our first objective will therefore make use of the 3 data-bases established as part of the Prevalolf project, correlating the multiple molecular characteristics (olfactory chemical space) to olfactory qualities (fruity, floral, woody, etc.: odor perception space). Methods taken from data mining producing descriptive rules are used to test the hypothesis that certain olfactory qualities, on which there is strong inter-subject agreement, can be predicted from the physicochemical properties of the odorant molecule.
Allows the olfaction experts to interact with the discovery algorithm to guide the search in the huge description space thanks to an ergonomic user interface.
Explore!Finds molecular description
targeting
a subset of olfactory qualities with the Fβ Score
Described by physicochemical properties,
Three databases are considered, entailing hundreds of molecules, 
Subgroup discovery consists in finding descriptions of molecules 
Redescription mining consists in finding couples (description, qualities) This research is partially supported by:
