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

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Mendeleev Communications, 1994, Volume 4, Issue 5, Pages 161–162
DOI: https://doi.org/10.1070/MC1994v004n05ABEH000393 (Mi mendc5197)

This article is cited in 5 scientific papers (total in 5 papers)

A Method for Describing the Molecular Electrostatic Potential in Determining Structure-Activity Relationship

I. Svitanko^a, M. Kumskov^a, I. L. Zyryanov^a, I. A. Suslov^b

^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

Full-text PDF (213 kB) Citations (5)

DOI: https://doi.org/10.1070/MC1994v004n05ABEH000393

Abstract: 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.

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Document Type: Article

Language: English

Citation: 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

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This publication is cited in the following 5 articles:

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