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., 17:2 (2007), 90–91

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ЖУРНАЛЫ // Mendeleev Communications // Архив

Mendeleev Commun., 2007, том 17, выпуск 2, страницы 90–91 (Mi mendc3387)

Эта публикация цитируется в 11 статьях

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

Аннотация: 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.

Язык публикации: английский

DOI: 10.1016/j.mencom.2007.03.012

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