I. Svitanko, D. A. Devetyarov, D. Chebukov, M. S. Dolmat, A. M. Zakharov, S. S. Grigor'eva, V. T. Chichua, L. A. Ponomareva, M. Kumskov, “QSAR modeling on the basis of 3D descriptors representing the electrostatic molecular surface (ambergris fragrances)”, Mendeleev Commun., 2007, Volume 17, Issue 2,Pages <nobr>90–91</nobr>

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Mendeleev Commun., 2007 Volume 17, Issue 2, Pages 90–91 (Mi mendc3387)

This article is cited in 11 papers

QSAR modeling on the basis of 3D descriptors representing the electrostatic molecular surface (ambergris fragrances)

I. Svitanko^ab, D. A. Devetyarov^c, D. Chebukov^a, M. S. Dolmat^b, A. M. Zakharov^c, S. S. Grigor'eva^c, V. T. Chichua^c, L. A. Ponomareva^a, M. Kumskov^a

^a N.D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, Moscow, Russian Federation
^b Higher Chemical College of the Russian Academy of Sciences, D.I. Mendeleev University of Chemical Technology of Russia, Moscow, Russian Federation
^c Department of Mechanics and Mathematics, M.V. Lomonosov Moscow State University, Moscow, Russian Federation

Abstract: A 3D-QSAR approach based on the electrostatic surface of molecules was used for the ambergris odour, and it showed a cross validation coefficient of 0.8.

Language: English

DOI: 10.1016/j.mencom.2007.03.012

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