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.
Document Type:
Article
Language: English
Citation:
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
Linking options:
https://www.mathnet.ru/eng/mendc3387
https://www.mathnet.ru/eng/mendc/v17/i2/p90
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