Comparing the Information Content of Two Large Olfactory Databases

• Published in: Journal of chemical information and modeling Vol. 46; no. 1; pp. 32 - 38
• Main Authors: Pintore, Marco, Wechman, Christophe, Sicard, Gilles, Chastrette, Maurice, Amaury, Nicolas, Chretien, Jacques R
• Format: Journal Article
• Language: English
• Published: United States American Chemical Society 01.01.2006
• Subjects: Classification; Comparative analysis; Mathematical models; Odors; Smell
• ISSN: 1549-9596; 1549-960X
• DOI: 10.1021/ci0502505

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.