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Эта публикация цитируется в 5 научных статьях (всего в 5 статьях)
A Method for Describing the Molecular Electrostatic Potential in Determining Structure-Activity Relationship
I. Svitankoa, M. Kumskova, I. L. Zyryanova, I. A. Suslovb 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
Аннотация:
Electrostatic complementarity is more important than geometrical complementarity in quantitative structure-activity relationship (QSAR) calculations. The similarity of molecular electrostatic potentials (MEP) (the occurrence of combinations of points possessing a definite electrostatic potential) describes the structure–odour relationship as a particular case of such calculations at a sufficient probability level.
Образец цитирования:
I. Svitanko, M. Kumskov, I. L. Zyryanov, I. A. Suslov, “A Method for Describing the Molecular Electrostatic Potential in Determining Structure-Activity Relationship”, Mendeleev Commun., 4:5 (1994), 161–162
Образцы ссылок на эту страницу:
https://www.mathnet.ru/rus/mendc5197 https://www.mathnet.ru/rus/mendc/v4/i5/p161
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