J. Chem. Inf. Model., 46 (1), 32 -38, 2006. 10.1021/ci0502505 S1549-9596(05)00250-0
Web Release Date: September 16, 2005

Copyright © 2005 American Chemical Society

Comparing the Information Content of Two Large Olfactory Databases

Marco Pintore, Christophe Wechman, Gilles Sicard, Maurice Chastrette, Nicolas Amaury, and Jacques R. Chretien*

BioChemics Consulting, 16 Rue L. de Vinci, F-45074 Orléans, France, University of Orléans, LBLGC/CBI, UPRES EA 1207, F-45067 Orléans, France, University Claude Bernard, Lab. Neurosciences & Systèmes Sensoriels, 50 Av. Tony Garnier, 69366 Lyon Cedex 07, France, and Fondation Edmond Roudnitska, 40 Avenue Hoche, 75008 Paris

Received June 20, 2005

Abstract:

The expert's subjectivity in establishing an olfactory description can produce wide discrepancies in different databases listing the odor profile of identical compounds. A representative example is obtained by comparing the odorous compounds included in the "Perfumery Materials and Performance 2001" (PMP2001) database and in Arctander's books (1960 and 1969). To better assess this problem, classification models obtained by using the adaptive fuzzy partition method were established on subsets of these databases distributed into the same olfactory classes. The robustness and the prediction power of these models give a powerful criterion for evaluating the "quality" of their information content and for deciding which is the most trustable database.


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