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Molecular similarity concept and its use for predicting the properties of chemical compounds

M I Skvortzova 1
M I Skvortzova
, 
Ivan Vyacheslavovich Stankevich 2
Ivan Vyacheslavovich Stankevich
, 
Vladimir Alexandrovich Palyulin 3
Vladimir Alexandrovich Palyulin
, 
Nikolai Serafimovich Zefirov 3
Nikolai Serafimovich Zefirov
1 N.D. Zelinskii Institute of Organic Chemistry, Russian Academy of Sciences
2 A. N. Nesmeyanov Institute of Organoelement Compounds of the Russian Academy of Sciences, Moscow
3 Lomonosov Moscow State University, Faculty of Chemistry
10.1070/RC2006v075n11ABEH003616
Published 30 November 2005
Communication , Volume 75, Issue 11, 961-979
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Skvortzova M. I. et al. Molecular similarity concept and its use for predicting the properties of chemical compounds // Russian Chemical Reviews. 2006. Vol. 75. No. 11. pp. 961-979.
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Skvortzova M. I., Stankevich I. V., Palyulin V. A., Zefirov N. S. Molecular similarity concept and its use for predicting the properties of chemical compounds // Russian Chemical Reviews. 2006. Vol. 75. No. 11. pp. 961-979.
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TY - JOUR
DO - 10.1070/RC2006v075n11ABEH003616
UR - https://rcr.colab.ws/publications/10.1070/RC2006v075n11ABEH003616
TI - Molecular similarity concept and its use for predicting the properties of chemical compounds
T2 - Russian Chemical Reviews
AU - Skvortzova, M I
AU - Stankevich, Ivan Vyacheslavovich
AU - Palyulin, Vladimir Alexandrovich
AU - Zefirov, Nikolai Serafimovich
PY - 2006
DA - 2005/11/30
PB - ANO Editorial Board of the journal Uspekhi Khimii
SP - 961-979
IS - 11
VL - 75
ER -
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@article{2006_Skvortzova,
author = {M I Skvortzova and Ivan Vyacheslavovich Stankevich and Vladimir Alexandrovich Palyulin and Nikolai Serafimovich Zefirov},
title = {Molecular similarity concept and its use for predicting the properties of chemical compounds},
journal = {Russian Chemical Reviews},
year = {2006},
volume = {75},
publisher = {ANO Editorial Board of the journal Uspekhi Khimii},
month = {Nov},
url = {https://rcr.colab.ws/publications/10.1070/RC2006v075n11ABEH003616},
number = {11},
pages = {961--979},
doi = {10.1070/RC2006v075n11ABEH003616}
}
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Skvortzova, M. I., et al. “Molecular similarity concept and its use for predicting the properties of chemical compounds.” Russian Chemical Reviews, vol. 75, no. 11, Nov. 2006, pp. 961-979. https://rcr.colab.ws/publications/10.1070/RC2006v075n11ABEH003616.
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Abstract

Main methods for determination of the degree of molecular similarity used in modern theoretical chemistry are surveyed. Methods for predicting the properties of chemical compounds based on the statement ′similar structures possess similar properties′ are described. Examples of using these approaches for the modelling of structure–property correlations for organic compounds are given.