Large Artificial Neural Networks Applied to the Prediction of Retention Indices of Acyclic and Cyclic Alkanes, Alkenes, Alcohols, Esters, Ketones and Ethers

Computers and Chemistry

Volumn 22, Issue 5, 1998, Pages 405-412

  Yan, Aixia ^a   Zhang, Ruisheng ^a   Liu, Mancang ^a   Hu, Zhide ^a   Hooper, M A ^b   Zhao, Zhengfeng ^b  

^a LANZHOU UNIVERSITY   (China)

^b MONASH UNIVERSITY   (Australia)

Author keywords

Artificial neural network; Boiling point; Extended delta bar delta back propogation; Gas chromatography; Molar volume; Retention index

Indexed keywords

EID: 0000175057     PISSN: 00978485     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0097-8485(98)00001-1     Document Type: Article

References (24)

1. Bruchmann, A. and Zinn, P. (1993) Anal. Chim. Acta 283, 869.
2. Finnoff, W., Hergert, F. and Zimmermann, H. G. (1993) Neural Networks 6, 711.
3. Geman, S., Bienenstock, E. and Doursat, R. (1994) Neural Computation 6, 181.
4. Kaliszan and Roman (1987) Quantitative Structure-Chromatographic Retention Relationships. John Wiley and sons, New York.
5. Lang, K. J., Waibel, A. H. and Hinton, G. E. (1990) Neural Networks 3(1), 33.
6. Lide, R. R. (1992-1993) CRC Handbook of Chemistry and Physics, 73rd edn. CRC Press, Boca Raton, FL.
7. Liu, M., Zhang, H., Zhang, R., Zhang, L. and Hu, Z. (1996) Chem. J. Chin. Univ. 17, 698.
8. Maggiora, G. M. and Elrod, D. W. (1992) J. Chem. Inform. Comput. Sci. 32, 732.
9. Mimai, A. A. and Williams, R. D. (1990) Proc. Int. Joint Conf. on Neural Networks, p. 676.
10. Morgan, N. and Bourlard, H. (1989) Advances in Neural Information Processing Systems 2, ed. D. S. Touretzky and S. Mateo, p. 107. Morgan Kaufman, California.
11. Munk, M. E. (1991) Mikrochim. Acta 2, 505.
12. Qian, N. and Sejnowski, T. J. (1988) J. Mol. Biol. 202, 865.
13. Rijks, J. A. and Cramers, C. A. (1974) Chromatographia 77, 99.
14. Robb, E. W. and Munk, M. E. (1991) Mikrochim. Acta I, 131.
15. Rumelhart, D. E. and McClelland, J. L. (PDP Research Group) (1986) Parallel Distributed Processing. MIT Press, Boston, MA.
16. Sadtler Catalogue (1985) The Sadtler Standard Gas Chromatography Retention Index Library. Sadtler Research Laboratories, Philadelphia, PA.
17. Song, X.-H. and Yu, R.-Q. (1993) Chemom. Intell. Lab. Syst. 19, 101.
18. Stone, M. (1974) J. R. Statist. Soc. B 36, 111.
19. Sun, Z., Liu, M. and Hu, Z. (1994) Chromatographia 38, 599.
20. Thomsen, J. U. and Meyer, B. (1989) J. Magnet. Reson. 84, 212.
21. Wythoff, B. J., Levine, S. E. and Tomellini, S. A. (1990) Anal. Chem. 62, 2702.
22. Zhang, H. and Hu, Z. (1992) Chromatographia 33, 575.
23. Zhang, R., Chen, X., Liu, M. and Zhide, H. (1996) Chin. J. Anal. Chem. 24, 724.
24. Zupan, J. and Gasteiger, J. (1991) Anal. Chim. Acta 248, 1.