Prediction of polymer properties from their structure by recursive neural networks

Macromolecular Rapid Communications

Volumn 27, Issue 9, 2006, Pages 711-715

  Duce, Celia ^a   Micheli, Alessio ^a   Starita, Antonina ^a   Tiné, Maria Rosaria ^a   Solaro, Roberto ^a  

^a UNIVERSITY OF PISA   (Italy)

Author keywords

Cheminformatics; Glass transition; QSPR; Recursive neural networks; Structure property relations

Indexed keywords

MACROMOLECULES; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; NEURAL NETWORKS; STEREOCHEMISTRY;

(METH)ACRYLIC POLYMERS; POLYMER STRUCTURES; RECURSIVE NEURAL NETWORKS; STEREOREGULARITY;

POLYMERS;

EID: 33646794450     PISSN: 10221336     EISSN: 15213927     Source Type: Journal    
DOI: 10.1002/marc.200600026     Document Type: Article

References (26)

1. A. M. Bianucci, A. Micheli, A. Sperduti, A. Starita, Appl. Intell. 2000, 12, 117.
2. A. Sperduti, A. Starita, IEEE Trans. Neural Networks 1997, 8, 714.
3. D. W. Van Krevelen, "Properties of Polymers - Their Estimation and Correlation with Chemical Structure", 3rd edition, Elsevier, Amsterdam 1990.
4. A. J. Hopfinger, M. G. Koehler, R. A. Pearlstein, J. Polym. Sci., Part B: Polym. Phys. 1988, 26, 2007.
5. J. Bicerano, "Prediction of Polymer Properties", 3rd edition, Marcel Dekker, New York 2002.
6. P. Camelio, C. C. Cypcar, V. Lazzeri, B. Waegel, J. Polym. Sci., Part A: Polym. Chem. 1997, 35, 2579.
7. A. R. Katritzky, S. Sild, V. S. Lobanov, M. Karelson, J. Chem. Inf. Comput. Sci. 1998, 38, 300.
8. S. J. Joyce, D. J. Osguthorpe, J. A. Padgett, G. J. Price, J. Chem. Soc., Faraday Trans. 1995, 91, 2491.
9. B. G. Sumpter, D. W. Noid, J. Thermal Anal. 1996, 46, 833.
10. B. E. Mattioni, P. C. Jurs, J. Chem. Inf. Comput. Sci. 2002, 42, 232.
11. R. Garcia-Domenech, J. V. de Julian-Ortiz, J. Phys. Chem. B 2002, 106, 1501.
12. P. Camelio, C. C. Cypcar, V. Lazzeri, B. Waegel, J. Polym. Sci., Part A: Polym. Chem. 1997, 35, 2579.
13. L. Bernazzani, C. Duce, A. Micheli, V. Mollica, A. Sperduti, A. Starita, M. R. Tiné, TR-04-16, http://techrep.di.unipi.it/TR/files/TR-04-16.ps.gz, Dept. of Computer Science, University of Pisa, Pisa 2004.
14. L. Bernazzani, C. Duce, A. Micheli, V. Mollica, A. Sperduti, A. Starita, M. R. Tiné, J. Chem. Inf. Model.(submitted).
15. P. Geyser, "Glass Transition Temperatures of Polymers", in: Polymer Handbook, 3rd edition, J. Brandrup, E. H. Immergut, Eds., John Wiley & Sons, New York 1989, p. VI/209.
16. B. Wesslen, R. W. Lenz, W. J. MacNight, F. E. Karasz, Macromolecules 1971, 4, 24.
17. S. Bywater, P. M. Toporowsky, Polymer 1972, 13, 94.
18. F. E. Karasz, W. J. MacKnight, Macromolecules 1968, 1, 537.
19. K. Ute, N. Miyatake, K. Hatada, Polymer 1995, 36, 1415.
20. A. Gourari, M. Bendaoud, C. Lacabanne, R. F. Boyer, J. Polym. Sci., Polym. Phys. Ed. 1985, 23, 889.
21. A. M. Walstrom, R. Subramanian, J. E. Long, J. E. McGrath, T. C. Ward, Polym. Prepr. (Am. Chem. Soc., Div. Polym. Chem.) 1986, 27, 135.
22. E. Gipstein, E. Kiran, J. K. Gillham, Polym. Prepr. (Am. Chem. Soc., Div. Polym. Chem.) 1972, 13, 1212.
23. T. Kitayama, K. Ute, M. Yamamoto, N. Fujimoto, K. Hatada, Polym. J. 1990, 22, 386.
24. G. R. Dever, F. E. Karasz, W. J. MacNight, J. Polym. Sci., Polym. Chem. Ed. 1975, 13, 2151.
25. S. S. Rogers, L. Mandelkern, J. Phys. Chem. 1957, 61, 985.
26. J. A. Shetter, J. Polym. Sci., Part B 1963, 1, 209.