Prediction of ozone tropospheric degradation rate constants by projection pursuit regression

Analytica Chimica Acta

Volumn 589, Issue 1, 2007, Pages 150-158

  Ren, Yueying ^a   Liu, Huanxiang ^a   Yao, Xiaojun ^a,b   Liu, Mancang ^a  

^a LANZHOU UNIVERSITY   (China)

^b LANZHOU UNIVERSITY   (China)

Author keywords

Heuristic method; Ozone tropospheric degradation rate constants; Projection pursuit regression; Quantitative structure property relationship; Support vector machine

Indexed keywords

ALGORITHMS; HEURISTIC METHODS; MEASUREMENT ERRORS; RATE CONSTANTS; SUPPORT VECTOR MACHINES; TROPOSPHERE;

MULTIPLE LINEAR REGRESSION (MLR); PROJECTION PURSUIT REGRESSION (PPR); QUANTITATIVE STRUCTURE PROPERTY RELATIONSHIP (QSPR); ROOT MEAN SQUARE ERROR (RMSE);

OZONE;

ALGORITHM; ARTICLE; CORRELATION COEFFICIENT; DEGRADATION KINETICS; MULTIPLE LINEAR REGRESSION ANALYSIS; OZONE LAYER; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE PROPERTY RELATION; SUPPORT VECTOR MACHINE; TROPOSPHERE;

EID: 33947579959     PISSN: 00032670     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.aca.2007.02.058     Document Type: Article

References (34)

1. Klopffer W. Chemosphere 33 (1996) 1083
2. Atkinson R., and Carter W.P.L. Chem. Rev. 84 (1984) 437
3. Wang L.H., Milford J.B., and Carter W.P.L. Atmos. Environ. 34 (2000) 4337
4. A.R. Katritzky, V.S. Lobanov, M. Karelson, CODESSA Version 2.0 Reference Manual, 1995-1997.
5. Pompe M., and Veber M. Atmos. Environ. 35 (2001) 3781
6. Gramatica P., Pilutti P., and Papa E. QSAR Comb. Sci. 22 (2003) 364
7. Fatemi M.H. Anal. Chim. Acta 556 (2006) 355
8. Huber P.J. Ann. Stat. 13 (1985) 435
9. Friedman J.H., and Tukey J.W. IEEE Trans. Comput. C-23 (1974) 881
10. Friedman J.H. J. Am. Stat. Assoc. 82 (1987) 249
11. Liu H.X., Yao X.J., Liu M.C., Hu Z.D., and Fan B.T. Talanta 71 (2007) 258
12. ISIS Draw2.3, MDL Information Systems, Inc., 1990-2000.
13. HyperChem, Release 6.0 for Windows, Hypercube, Inc., 2000.
14. J.P.P. Stewart, MOPAC 6.0, Quantum Chemistry Program Exchange; QCPE, no. 455, Indiana University, Bloomington, IN, 1989.
15. Katritzky A.R., Perumal S., Petrukhin R., and Kleinpeter E. J. Chem. Inf. Comput. Sci. 41 (2001) 569
16. A.J. Smola, B. Schölkopf, NeuroCOLT2 Technical Report Series, NC2-TR-1998-030.
17. Kvalheim O.V., and Liang Y.Z. Anal. Chem. 64 (1992) 936
18. Ren S.J. J. Chem. Inf. Comput. Sci. 43 (2003) 1679
19. Hu Q.N., Liang Y.Z., Peng X.L., Yin H., and Fang K.T. J. Chem. Inf. Comput. Sci. 44 (2004) 437-446
20. Faber K., and Kowalski B.R. Appl. Spectrosc. 51 (1997) 660
21. Sharma S. Applied Multivariate Techniques (1996), John Wiley & Sons, Singapore
22. Ferré J., and Rius F.X. Anal. Chem. 68 (1996) 1565
23. Kennard R.W., and Stone L.A. Technometrics 11 (1969) 137
24. Næs T. J. Chemom. 1 (1987) 121
25. Snee R.D. Technometrics 19 (1977) 415
26. De Maesschalck R., Estienne F., Verdú-Andrés J., Candolfi A., Centner V., Despagne F., Jouan-Rimbaud D., Walczak B., Massart D.L., de Jong S., de Noord O.E., Puel C., and Vandeginste B.M.G. Internet J. Chem. 2 (1999) 19
27. Katritzky A.R., Kuanar M., Fara D.C., Karelson M., and Acree W.E. J. Bioorgan. Med. Chem. 12 (2004) 4735
28. Famini G.R., Penski C.A., and Wilson L.Y. J. Phys. Org. Chem. 5 (1992) 395
29. Sun J.Y. Some practical aspects of exploratory projection pursuit. SIAM J. Sci. Stat. Comp. 14 (1993) 68
30. S. Klinke, J. Grassmann, Projection pursuit regression and neural networks, http://edoc.hu-berlin.de/series/sfb-373-papers.
31. Denisova T.G., and Denisov E.T. Polym. Degrad. Stab. 60 (1998) 345
32. Zefirov N.S., Kirpichenok M.A., Izmailov F.F., and Trofimov M.I. Dokl. Akad. Nauk SSSR. 296 (1987) 883
33. Zhou Z.X., and Parr R.G. J. Am. Chem. Soc. 112 (1990) 5720
34. Sannigrahi A.B. Adv. Quantum Chem. 23 (1992) 301