Quantitative structure-conditions-property relationship studies. Neural network modelling of the acid hydrolysis of esters

Mendeleev Communications

Volumn 12, Issue 5, 2002, Pages 185-186

  Halberstam, Nataliya M ^a   Baskin, Igor I ^a   Palyulin, Vladimir A ^a   Zefirov, Nikolai S ^a  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

ACID; ESTER DERIVATIVE;

ARTICLE; ARTIFICIAL NEURAL NETWORK; CHEMICAL REACTION; CHEMICAL REACTION KINETICS; HYDROLYSIS; MOLECULAR MODEL; QUANTITATIVE STRUCTURE PROPERTY RELATION; REACTION ANALYSIS;

EID: 0036763729     PISSN: 09599436     EISSN: None     Source Type: Journal    
DOI: 10.1070/MC2002v012n05ABEH001620     Document Type: Article

References (16)

1. J. Zupan and J. Gasteiger, Neural Networks in Chemistry, Wiley-VCH, Weinheim, 1999.
2. N. M. Halberstam, I. I. Baskin, V. A. Palyulin and N. S. Zefirov, Trudy VII Vserossiiskoi Konferentsii 'Neirokomp'Yutery i Ikh Primenenie' (Proceedings of the VII All-Russian Conference 'Neurocomputers and Their Applications'), Moscow, 2001, p. 423 (in Russian).
3. N. M. Halberstam, I. I. Baskin, V. A. Palyulin and N. S. Zefirov, Tezisy II Vserossiiskoi Konferentsii 'Molekulyarnoe Modelirovanie' (Abstracts of the II All-Russian Conference 'Molecular Modelling'), Moscow, 2001, p. 62 (in Russian).
4. N. M. Halberstam, I. I. Baskin, V. A. Palyulin and N. S. Zefirov, Dokl. Akad. Nauk, 2002, 384, 202 [Dokl. Chem. (Engl. Transl.), 2002, 384, 140].
5. L. P. Hammett, Physical Organic Chemistry Reaction Rates, Equilibria, and Mechanisms, McGraw-Hill, New York-London, 1940, p. 184.
6. R. W. Taft, J. Am. Chem. Soc., 1952, 74, 3120.
7. R. W. Taft, J. Am. Chem. Soc., 1953, 75, 4231.
8. Tablitsy Konstant Skorosti i Ravnovesiya Geteroliticheskikh Organicheskikh Reaktsii (Tables of Rate and Equilibrium Constants of Heterolytic Organic Reactions), ed. V. A. Palm, VINITI, Moscow, 1975, vol. 1, p. 7 (in Russian).
9. M. S. Silver, J. Am. Chem. Soc., 1961, 83, 404.
10. O. A. Seoud and M. F. Martins, J. Phys. Org. Chem., 1995, 8, 637.
11. H. Neuvonen and K. Neuvonen, J. Chem. Soc., Perkin Trans. 2, 1999, 1497.
12. M. Karelson, V. Lobanov and A. Katritzky, Chem. Rev., 1996, 96, 1027.
13. V. A. Palm, Osnovy Kolichestvennoi Teorii Organicheskikh Reaktsii (Quantitative Theory of Organic Reactions), Khimia, Leningrad, 1977, p. 106 (in Russian).
14. I. I. Baskin, A. O. Ait, N. M. Halberstam, V. A. Palyulin and N. S. Zefirov, SAR and QSAR in Env. Res., 2002, 13, 35.
15. V. R. Stimson, J. Chem. Soc., 1955, 2010.
16. C. K. Ingold, Structure and Mechanism in Organic Chemistry, Cornell University Press, Ithaca, 1969.