Quantitative structure-property relationship study of the solvent polarity using wavelet neural networks

Analytical Sciences

Volumn 23, Issue 8, 2007, Pages 937-942

  Zarei, Kobra ^a   Atabati, Morteza ^a   Ebrahimi, Malihe ^a  

^a DAMGHAN UNIVERSITY   (Iran)

Author keywords

[No Author keywords available]

Indexed keywords

AMIDES; FORECASTING; MEAN SQUARE ERROR; QUANTUM CHEMISTRY; SOLVENTS; SULFUR COMPOUNDS;

AVERAGE RELATIVE ERROR; NEURAL NETWORK MODEL; QUANTITATIVE STRUCTURE PROPERTY RELATIONSHIPS; QUANTUM CHEMICAL CALCULATIONS; QUANTUM CHEMICAL DESCRIPTORS; ROOT-MEAN-SQUARE ERROR OF PREDICTIONS; UNSATURATED HYDROCARBONS; WAVELET NEURAL NETWORKS;

NEURAL NETWORKS;

EID: 49749138527     PISSN: 09106340     EISSN: 13482246     Source Type: Journal    
DOI: 10.2116/analsci.23.937     Document Type: Article

References (38)

1. M. Karelson, V. S. Lobanov, and A. R. Katritzky, Chem. Rev., 1996, 96, 1027.
2. A. R. Katritzky, D. C. Fara, H. Yang, K. Tämm, T. Tamm, and M. Karelson, Chem. Rev., 2004, 104, 175.
3. C. Reichardt, "Solvents and Solvent Effects in Organic Chemistry", 2003, Wiley-VCH, Weinheim.
4. C. Reichardt, Chem. Rev., 1994, 94, 2319.
5. R. S. Drago, J. Chem. Soc. Perkin Trans. 2, 1992, 1827.
6. R. S. Drago, J. Org. Chem., 1992, 57, 6547.
7. R. S. Drago, M. S. Hirsch, D. C. Ferris, and C. W. Chronister, J. Chem. Soc. Perkin Trans. 2, 1994, 219.
8. D. C. Ferris and R. S. Drago, J. Am. Chem. Soc., 1994, 116, 7509.
9. R. S. Drago and D. C. Ferris, J. Phys. Chem., 1995, 99, 6563.
10. P. Bustamante and R. S. Drago, J. Phys. Chem. B, 1997, 101, 5002.
11. G. Taddei, E. Castellucci, and F. D. Verderame, J. Chem. Phys., 1970, 53, 2407.
12. G. Wypych, "Handbook of Solvents", 2001, Chem Tec, New York, 584.
13. A. R. Katritzky, L. Mu, and M. Karelson, J. Chem. Inf. Comput. Sci., 1997, 37, 756.
14. L. Mu, R. S. Drago, and D. E. Richardson, J. Chem. Soc. Perkin Trans. 2, 1998, 159.
15. J. A. Pople, "Approximate Molecular Orbital Theory", 1970, McGraw-Hill, New York.
16. J. A. Pople, D. P. Santry, and G. A. Segal, J. Chem. Phys., 1965, 43, S129.
17. J. A. Pople and G. A. Segal, J. Chem. Phys., 1966, 44, 3289.
18. J. A. Pople, D. L. Beveridge, and P. A. Dobosh, J. Chem. Phys., 1967, 47, 2026.
19. R. C. Bingham, M. J. S. Dewar, and D. H. Lo, J. Am. Chem. Soc., 1975, 97, 1285.
20. M. J. S. Dewar and W. Thiel, J. Am. Chem. Soc., 1977, 99, 4899.
21. M. J. S. Dewar, E. G. Zoebisch, E. F. Healy, and J. J. P. Stewart, J. Am. Chem. Soc., 1985, 107, 3902.
22. J. J. P. Stewart, J. Comput. Chem., 1989, 10, 209.
23. C. Gruber and V. Bub, Chemosphere, 1989, 19, 1595.
24. D. C. Young, "Computational Chemistry", 2001, Wiley, New York, 36.
25. F. T. Chau, Y. Z. Liang, J. Gao, and X. G. Shao, "Chemometrics From Basics to Wavelet Transform", 2004, Wiley, New Jersey, 11.
26. X. Zhang, J. Qi, R. Zhang, M. Liu, Z. Hu, H. Xue, and B. Fan, Comput. Chem., 2001, 25, 125.
27. V. J. Barclay, R. F. Bonner, and I. P. Hamilton, Anal. Chem., 1997, 69, 78.
28. X. Shao and Y. Zhuang, Anal. Sci., 2004, 20, 451.
29. F. T. Chau, A. K. M. Leung, and J. B. Gao, Anal. Chem., 1998, 70, 5222.
30. F. T. Chau, A. K. M. Leung, J. B. Gao, and T. M. Shih, Chemom. Intell. Lab. Syst., 1998, 43, 69.
31. F. Ehrentreich, Anal. Bioanal. Chem., 2002, 372, 115.
32. J. Zhang, G. Walter, G. Miao, and Y. Lee, IEEE Trans. Signal Process., 1995, 43, 1485.
33. X. Yao, X. Zhang, R. Zhang, M. Liu, Z. Hu, and B. Fan, Comput. Chem., 2001, 25, 475.
34. Q. X. Guo, L. Liu, W. Cai, Y. Jiang, and Y. Liu, Chem. Phys. Lett., 1998, 290, 518.
35. L. Liu and Q. X. Guo, J. Chem. Inf. Comput. Sci., 1998, 39, 133.
36. K. Zarei and M. Atabati, J. Anal. Chem., 2005, 60, 732.
37. B. G. M. Vandeginste, D. L. Massart, L. M. C. Buydens, S. De Jong, P. J. Lewi, and J. Smeyers-Verbeke, "Handbook of Chemometrics and Qualimetrics: Part B", 1998, Elsevier, Amsterdam, 679.
38. Y. P. Du, S. Kasemsumran, K. Maruo, T. Nakagawa, and Y. Ozaki, Chemom. Intell. Lab. Syst., 2006, 82, 83.