Prediction of the glass transition temperatures for polymers with artificial neural network

Journal of Theoretical and Computational Chemistry

Volumn 7, Issue 5, 2008, Pages 953-963

  Yu, Xin Liang ^a   Yi, Bing ^a   Wang, Xue Ye ^b  

^a HUNAN INSTITUTE OF ENGINEERING   (China)

^b XIANGTAN UNIVERSITY   (China)

Author keywords

Artificial neural network; Glass transition temperature; Polymer; QSPR

Indexed keywords

EID: 57249105205     PISSN: 02196336     EISSN: None     Source Type: Journal    
DOI: 10.1142/S0219633608004416     Document Type: Article

References (30)

1. Bicerano J, Encyclopedia of Polymer Science, and Technology, Wiley, New York, 2003.
2. Krause S, Gormley JJ, Roman N, Shetter JA, Watanade WH. J Polym Sci: Polym Chem Part A 3:3573, 1965.
3. Van Krevelen DW, Properties of Polymers, 3rd edn., Elsevier, Amsterdam, 1990.
4. Bicerano J, Prediction of Polymer Properties, 2nd edn., Marcel Dekker, New York, 1996.
5. David RL, CRC Handbook of Chemistry and Physics, 81st edn., CRC Press, New York, 2000-2001.
6. Tiphajiko BI (Translated by Yan J, Zhang Y), The Handbook of Polymer Physical Chemistry, Vol. 2, China Petrochemical Press, Beijing, 1995.
7. Camelio P, Cypcar CC, Lazzeri V, Waegell B, J Polym Sci: Polym Chem Part A 35:2579, 1997.
8. Cypcar CC, Camelio P, Lazzeri V, Mathias LJ, Waegell B, Macromolecules 29:8954, 1996.
9. Dai J, Liu S, Chen Y, Cao C, Acta Polym Sin 3:343, 2003.
10. Liu W, Wang X, Li X, Long Q, Wen X, Li J, Comput Appl Chem 22(9):753, 2005.
11. Liu W, Wang X, Li X, Long Q, Wen X, Li J, Acta Phys Chim 21(6):596, 2005.
12. Liu W, Wang X, Li X, Long Q, Wen X, Li J, Polym Mater Sci Eng 22(1):170, 2006.
13. Yu X, Wang X, Li X, Gao J, Wang H, Macromol Theory Simul 15:94, 2006.
14. Joyce SJ, Osguthorpe DJ, Padgett JA, Price GJ, J Chem Soc Faraday Trans 91(16):2491, 1995.
15. Sumpter BG, Noid DW, Ann Rev Mater Sci 26:233, 1996.
16. Brandrup J, Immergut EH, Grulke EA, Polymer Handbook, 4th edn., Wiley, New York, 1999.
17. Yu X, Yi B, Wang X, J Comput Chem 28:2336, 2007.
18. Afantitis A, Melagraki G, Arimveis H, Koutetis PA, Markopoulos J, Igglessi-Markopoulou O, Polymer 47:3240, 2006.
19. Mattioni BE, Jurs PC, J Chem Inform Comput Sci 42(2):232, 2002.
20. Karelson M, Lobanov VS, Katritzky AR, Chem Rev 96(3):1027, 1996.
21. Wan J, Zhang L, Yang G, J Comput Chem 25:1827, 2004.
22. Lu G, Dang Z, Tao X, Peng P, Zhang D, J Theor Comput Chem 4:811, 2005.
23. Natsume T, Ishikawa Y, Dedachi K, Tsukamoto T, Kurita N, Int J Quant Chem 106:3278, 2006.
24. Hobza P, Sÿponer J, Chem Rev 99(11):3247, 1999.
25. Toropov AA, Nabiev OM, Duchowicz P, Castro EA, Torrens F, J Theor Comput Chem 2(2): 139, 2003.
26. Becke AD, J Chem Phys 98:5648, 1993.
27. Lee C, Yang W, Parr RG, Phys Rev B 37:785, 1998.
28. Petersson GA, Bennett A, Tensfeldt TG, Al-Laham MA, Shirley WA, Mantzaris J, J Chem Phys 89(4):2193, 1988.
29. Jurs PC, Computer Software Applications in Chemistry, 2nd edn., Wiley, New York, 1996.
30. Gao J, Wang X, Li X, Yu X, Wang H, J Mol Model 12:513, 2006.