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Usp. Khim., 2006, Volume 75, Issue 11, Pages 1074–1093 (Mi rcr372)  

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

Full text: http://www.uspkhim.ru/.../paper_rus.phtml?journal_id=rc&paper_id=3616

English version:
Russian Chemical Reviews, 2006, 75:11, 961–979

Bibliographic databases:

Document Type: Article
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

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    Citing articles on Google Scholar: Russian citations, English citations
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    This publication is cited in the following articles:
    1. Yu. I. Tarasevich, “Adsorption-calorimetric determination of the surface energy of dispersed oxides”, Theor Exp Chem, 43:2 (2007), 79  crossref  scopus
    2. M. I. Skvortsova, I. V. Stankevich, V. A. Palyulin, N. S. Zefirov, “Molecular Similarity Concept and Its Use for Predicting the Properties of Chemical Compounds”, ChemInform, 38:17 (2007)  crossref
    3. Yashkin S.N., Svetlov D.A., Novoselova O.V., Yashkina E.A., “Experimental and Molecular Statistical Study of Alkyladamantane Adsorption on Graphitized Thermal Carbon Black”, Russ. Chem. Bull., 57:12 (2008), 2472–2482  crossref  isi  elib  scopus
    4. Karpov P.V., Baskin I.I., Palyulin V.A., Zefirov N.S., “Virtual Screening Based on One-Class Classification”, Dokl. Chem., 437:2 (2011), 107–111  crossref  zmath  isi  elib  scopus
    5. Radchenko E.V., Makhaeva G.F., Palyulin V.A., Zefirov N.S., “Chemical Similarity, Shape Matching and Qsar”, Computational Systems Pharmacology and Toxicology, Issues in Toxicology, 31, eds. Johnson D., Richardson R., Royal Soc Chemistry, 2017, 120–173  crossref  isi
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