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This article is cited in 7 scientific papers (total in 7 papers)
Molecular similarity concept and its use for predicting the properties of chemical compounds
M. I. Skvortzovaa, I. V. Stankevichb, V. A. Palyulinc, N. S. Zefirovc a N.D. Zelinskii Institute of Organic Chemistry, Russian Academy of Sciences
b A. N. Nesmeyanov Institute of Organoelement Compounds of the Russian Academy of Sciences, Moscow
c Lomonosov Moscow State University, Faculty of Chemistry
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.
Received: 12.12.2005
Citation:
M. I. Skvortzova, I. V. Stankevich, V. A. Palyulin, N. S. Zefirov, “Molecular similarity concept and its use for predicting the properties of chemical compounds”, Usp. Khim., 75:11 (2006), 1074–1093; Russian Chem. Reviews, 75:11 (2006), 961–979
Linking options:
https://www.mathnet.ru/eng/rcr372https://doi.org/10.1070/RC2006v075n11ABEH003616 https://www.mathnet.ru/eng/rcr/v75/i11/p1074
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