Artificial neural network prediction of normalized polarity parameter for various solvents with diverse chemical structures

Bulletin of the Korean Chemical Society

Volumn 28, Issue 9, 2007, Pages 1472-1476

  Habibi Yangjeh, Aziz ^a  

^a UNIVERSITY OF MOHAGHEGH ARDABILI   (Iran)

Author keywords

Artificial neural networks; Normalized polarity parameter; Quantitative structure property relationship; Theoretical descriptors

Indexed keywords

HYDROGEN; MATHEMATICAL MODELS; PARAMETER ESTIMATION; REGRESSION ANALYSIS; SOLVENTS;

NORMALIZED POLARITY PARAMETER; QUANTITATIVE-STRUCTURE PROPERTY RELATIONSHIP; THEORETICAL DESCRIPTORS;

NEURAL NETWORKS;

EID: 34848874498     PISSN: 02532964     EISSN: 12295949     Source Type: Journal    
DOI: 10.5012/bkcs.2007.28.9.1472     Document Type: Article

References (43)

1. Reichardt, C. Solvents and Solvent Effects in Organic Chemistry, 3rd ed.; VCH: 2003; Chap. 4-7.
2. Marcus, Y. J. Chem. Soc., Perkin Trans. 2 1994, 1015.
3. Cativiela, C.; Garcia, J. I.; Gil, J.; Martinez, R. M.; Mayoral, J. A.; Salvatella, L.; Urieta, J. S.; Mainer, A. M.; Abraham, M. H. J. Chem. Soc., Perkin Trans. 2 1997, 653.
4. Gholami, M. R.; Habibi-Yangjeh, A. Int. J. Chem. Kinet. 2000, 32, 431.
5. Gholami, M. R.; Habibi-Yangjeh, A. J. Phys. Org. Chem. 2000, 13, 468.
6. Gholami, M. R.; Habibi-Yangjeh, A. Int. J. Chem. Kinet. 2001, 33, 118.
7. Habibi-Yangjeh, A.; Gholami, M. R.; Mostaghim, R. J. Phys. Org. Chem. 2001, 14, 884.
8. Harifi, A.-R.; Habibi-Yangjeh, A.; Gholami, M. R. J. Phys. Chem. B 2006, 110, 7073.
9. Todeschini, R.; Consonni, V. Handbook of Molecular Descriptors; Wiley-VCH: Weinheim, Germany, 2000.
10. Famini, G. R.; Wilson, L. Y. J. Phys. Org. Chem. 1999, 12, 645.
11. Famini, G. R.; Penski, C. E.; Wilson, L. Y. J. Phys. Org. Chem. 1992, 5, 395.
12. Famini, G. R. Chemosphere 1997, 35, 2417.
13. Lowrey, A. H.; Famini, G. R.; Wilson, L. Y. J. Chem. Soc., Perkin Trans. 2 1997, 1381.
14. Cronce, D. T.; Famini, G. R.; Soto, J. A. D.; Wilson, L. Y. J. Chem. Soc., Perkin Trans. 2 1998, 1293.
15. Engberts, J. B. F. N.; Famini, G. R.; Perjessy, A.; Wilson, L. Y. J. Phys. Org. Chem. 1998, 11, 261.
16. Famini, G. R.; Benyamin, D.; Kim, C.; Veerawat, R.; Wilson, L. Y. Collect. Czech. Chem. Commun. 1999, 64, 1727.
17. Habibi-Yangjeh, A. Indian J. Chem. B 2003, 42, 1478.
18. Habibi-Yangjeh, A. Indian J. Chem. B 2004, 43, 1504.
19. Patterson, D. W. Artificial Neural Networks: Theory and Applications; Simon and Schuster: New York, 1996; Part III, Chap. 6.
20. Bose, N. K.; Liang, P. Neural Network Fundamentals; McGraw-Hill: New York, 1996.
21. Zupan, J.; Gasteiger, J. Neural Networks in Chemistry and Drug Design; Wiley-VCH: Weinhein, 1999.
22. Agatonovic-Kustrin, S.; Beresford, R. J. Pharm. Biomed. Anal. 2000, 22, 717.
23. Xing, W. L.; He, X. W. Anal. Chim. Acta 1997, 349, 283.
24. Bunz, A. P.; Braun, B.; Janowsky, R. Fluid Phase Equilib. 1999, 158, 367.
25. Homer, J.; Generalis, S. C.; Robson, J. H. Phys. Chem. Chem. Phys. 1999, 1, 4075.
26. Goll, E. S.; Jurs, P. C. J. Chem. Inf. Comp. Sci. 1999, 39, 974.
27. Vendrame, R.; Braga, R. S.; Takahata, Y.; Galvao, D. S. J. Chem. Inf. Comput. Sci. 1999, 39, 1094.
28. Gaspelin, M.; Tusar, L.; Smid-Korbar, J.; Zupan, J.; Kristl, J. Int. J. Pharm. 2000, 196, 37.
29. Gini, G.; Cracium, M. V.; Konig, C.; Benfenati, E. J. Chem. Inf. Comput. Sci. 2004, 44, 1897.
30. Urata, S.; Takada, A.; Uchimaru, T.; Chandra, A. K.; Sekiya, A. J. Fluorine Chem. 2002, 16, 163.
31. Jalali-Heravi, M.; Masoum, S.; Shahbazikhah, P. J. Magn. Reson. 2004, 171, 176.
32. Koziol, J. Internet Electron. J. Mol. Des. 2002, 1, 80.
33. Wegner, J. K.; Zell, A. J. Chem. Inf. Comput. Sci. 2003, 43, 1077.
34. Valkova, I.; Vracko, M.; Basak, S. C. Anal. Chim. Acta 2004, 509, 179.
35. Jalali-Heravi, M.; Masoum, S.; Shahbazikhah, P. J. Magn. Reson. 2004, 171, 176.
36. Habibi-Yangjeh, A.; Nooshyar, M. Bull. Korean Chem. Soc. 2005, 6, 139.
37. Habibi-Yangjeh, A.; Nooshyar, M. Physics and Chemistry of Liquids 2005, 43, 239.
38. Habibi-Yangjeh, A.; Danandeh-Jenagharad, M.; Nooshyar, M. Bull. Korean Chem. Soc. 2005, 26, 2007.
39. Habibi-Yangjeh, A.; Danandeh-Jenagharad, M.; Nooshyar, M. J. Mol. Model 2006, 12, 338.
40. Marcus, Y. The Properties of Solvents; John Wiley and Sons: New York, 1999.
41. Turner, J. V.; Maddalena, D. J.; Cutler, D. J. Int. J. Pharm. 2004, 270, 209.
42. Matlab 6.5; Mathworks: 1984-2002.
43. Demuth, H.; Beale, M. Neural Network Toolbox; Mathworks: Natick, MA, 2000.