A new estimation algorithm of physical properties based on a group contribution and support vector machine

Korean Journal of Chemical Engineering

Volumn 25, Issue 3, 2008, Pages 568-574

  Lee, Chang Jun ^a   Lee, Gibaek ^b   So, Won ^a   Yoon, En Sup ^a  

^a Seoul National University   (South Korea)

^b Chungju National University   (South Korea)

Author keywords

Functional group; Group contribution method; Property estimation; Support vector machine

Indexed keywords

EID: 46749084238     PISSN: 02561115     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11814-008-0096-0     Document Type: Article

References (13)

1. M. S. Mannan, W. J. Rogers and A. Aldeeb, A systematic approach to reactive chemicals analysis, Proc. HAZARDS XVI, Manchester, U.K. 41-58 (2001).
2. C. Bruneton, C. Hoff and P. Barton, Computers and Chemical Engineering, 22(6), 735 (1998).
3. K.G. Joback, Unified approach to physical property estimation using multivariate statistical techniques, S.M. Thesis, Massachusetts Institute of Technology, Cambridge (1984).
4. K.G. Joback, Designing molecules possessing desired physical property values Vol.1, Ph. D. Thesis, Massachusetts Institute of Technology, Cambridge (1989a).
5. K.G. Joback, Designing molecules possessing desired physical property values Vol. 2, Ph. D. Thesis, Massachusetts Institute of Technology, Cambridge (1989).
6. K. G. Joback, Fluid Phase Equilibria, 185(1), 45 (2001).
7. H. J. Liaw, C. C. Yur and Y. F. Lin, J. of Loss Prevention in the Process Industries, 13(6), 499 (2000).
8. L. Constantinou and R. Gani, AIChE Journal, 40(10), 1697 (1994).
9. K. H. Lee, J.Y. Jung and I. B. Lee, Korea J. Chem. Eng., 31, 744 (1993).
10. DIPPR (Design Institute for Physical Properties), http://dippr.byu.edu
11. V.N. Vapnik, The nature of statistical learning theory, Springer Verlag, New York, U.S.A. 53-67 (1995).
12. V. Cherkassky and F. Muler, Learning from data: Concepts, theory, and methods, John Wiley & Sons, New York, U.S.A. 353-387 (1998).
13. H. J. Liaw, C. J. Chen and C. C. Yur, J. of Loss Prevention in the Process Industries, 14(5), 371 (2001).