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

Igor Svitanko 1
Igor Svitanko
, 
Mikhail Kumskov 1
Mikhail Kumskov
, 
Ivan Leonidovich Zyryanov 1
Ivan Leonidovich Zyryanov
, 
Ivan Aleksandrovich Suslov 2
Ivan Aleksandrovich Suslov
10.1070/MC1994v004n05ABEH000393
Published 1994-10-30
Communication , Volume 4, Issue 5, 161-162
5
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Svitanko I. et al. A Method for Describing the Molecular Electrostatic Potential in Determining Structure-Activity Relationship // Mendeleev Communications. 1994. Vol. 4. No. 5. pp. 161-162.
GOST all authors (up to 50) Copy
Svitanko I., Kumskov M., Zyryanov I. L., Suslov I. A. A Method for Describing the Molecular Electrostatic Potential in Determining Structure-Activity Relationship // Mendeleev Communications. 1994. Vol. 4. No. 5. pp. 161-162.
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TY - JOUR
DO - 10.1070/MC1994v004n05ABEH000393
UR - https://mendcomm.colab.ws/publications/10.1070/MC1994v004n05ABEH000393
TI - A Method for Describing the Molecular Electrostatic Potential in Determining Structure-Activity Relationship
T2 - Mendeleev Communications
AU - Svitanko, Igor
AU - Kumskov, Mikhail
AU - Zyryanov, Ivan Leonidovich
AU - Suslov, Ivan Aleksandrovich
PY - 1994
DA - 1994/10/30
PB - Mendeleev Communications
SP - 161-162
IS - 5
VL - 4
ER -
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@article{1994_Svitanko,
author = {Igor Svitanko and Mikhail Kumskov and Ivan Leonidovich Zyryanov and Ivan Aleksandrovich Suslov},
title = {A Method for Describing the Molecular Electrostatic Potential in Determining Structure-Activity Relationship},
journal = {Mendeleev Communications},
year = {1994},
volume = {4},
publisher = {Mendeleev Communications},
month = {Oct},
url = {https://mendcomm.colab.ws/publications/10.1070/MC1994v004n05ABEH000393},
number = {5},
pages = {161--162},
doi = {10.1070/MC1994v004n05ABEH000393}
}
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Svitanko, Igor, et al. “A Method for Describing the Molecular Electrostatic Potential in Determining Structure-Activity Relationship.” Mendeleev Communications, vol. 4, no. 5, Oct. 1994, pp. 161-162. https://mendcomm.colab.ws/publications/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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