Computational neural networks and the rational design of polymeric materials: the next generation polycarbonates

Computational and Theoretical Polymer Science

Volumn 8, Issue 3-4, 1998, Pages 311-321

  Ulmer II, Charles W ^a   Smith, Douglas A ^a,c   Sumpter, Bobby G ^b   Noid, Donald I ^b  

^a DASGroup Inc   (United States)

^b OAK RIDGE NATIONAL LABORATORY   (United States)

^c OHIO SUPERCOMPUTER CENTER   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMORPHOUS MATERIALS; COMPRESSIVE STRENGTH; COMPUTER AIDED DESIGN; CRYSTALLINE MATERIALS; GLASS TRANSITION; HARDNESS TESTING; IMPACT RESISTANCE; MOLECULAR STRUCTURE; NEURAL NETWORKS; REFRACTIVE INDEX; RELAXATION PROCESSES; TENSILE TESTING;

COMPUTATIONAL NEURAL NETWORKS; SEMICRYSTALLINE POLYMERS; SOFTWARE PACKAGE PROPNET;

POLYCARBONATES;

NEURAL NETWORK;

POLYMER;

EID: 0032427442     PISSN: 10893156     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1089-3156(98)00035-X     Document Type: Article

References (30)

1. Sumpter, B. G. and Noid, D. W., Ann. Rev. Mater. Sci., 1996, 26, 223.
2. Sommer, K., Botoulls, L, Jilge, W., Morbitzer, L., Pitter, B., Plaetschke, R., Timmermann, R., Binder, K., Paul, W., Gentile, F. T., Heermann, D. W., Kremer, K., Laso, M., Suter, V. W. and Ludovice, P., J. Adv. Mater, 1991, 3, 590.
3. Hansch, C. and Fujita. T., J. Am. Chem. Soc. 1964, 86, 1616. Hansch, C., Leo, A, Exploring QSAR: Fundamentals and Applications in Chemistry and Biology. American Chemical Society, Washington, DC, 1995.
4. Hansch, C. and Fujita. T., J. Am. Chem. Soc. 1964, 86, 1616. Hansch, C., Leo, A, Exploring QSAR: Fundamentals and Applications in Chemistry and Biology. American Chemical Society, Washington, DC, 1995.
5. Sumpter, B. G. and Noid, D. W., Intelligent Engineering Systems Through Artificial Neural Networks, 1994, 4, 863; Sumpter, B. G, Noid, D. W., ANTEC 95, 2556; Venkatasubramamian, V., Chan, K., Caruthers, J. M., Comput. Chem. Eng. 1994, 18, 833; Venkatasubramamian, V., Chan, K., Caruthers, J. M., J. Chem. Inf Comput. Sci., 1995, 35, 188; Glen, R. C., Payne, A. W. R. J Comput.-Aided Mol-Des. 1995, 9, 181.
6. Sumpter, B. G. and Noid, D. W., Intelligent Engineering Systems Through Artificial Neural Networks, 1994, 4, 863; Sumpter, B. G, Noid, D. W., ANTEC 95, 2556; Venkatasubramamian, V., Chan, K., Caruthers, J. M., Comput. Chem. Eng. 1994, 18, 833; Venkatasubramamian, V., Chan, K., Caruthers, J. M., J. Chem. Inf Comput. Sci., 1995, 35, 188; Glen, R. C., Payne, A. W. R. J Comput.-Aided Mol-Des. 1995, 9, 181.
7. Sumpter, B. G. and Noid, D. W., Intelligent Engineering Systems Through Artificial Neural Networks, 1994, 4, 863; Sumpter, B. G, Noid, D. W., ANTEC 95, 2556; Venkatasubramamian, V., Chan, K., Caruthers, J. M., Comput. Chem. Eng. 1994, 18, 833; Venkatasubramamian, V., Chan, K., Caruthers, J. M., J. Chem. Inf Comput. Sci., 1995, 35, 188; Glen, R. C., Payne, A. W. R. J Comput.-Aided Mol-Des. 1995, 9, 181.
8. Sumpter, B. G. and Noid, D. W., Intelligent Engineering Systems Through Artificial Neural Networks, 1994, 4, 863; Sumpter, B. G, Noid, D. W., ANTEC 95, 2556; Venkatasubramamian, V., Chan, K., Caruthers, J. M., Comput. Chem. Eng. 1994, 18, 833; Venkatasubramamian, V., Chan, K., Caruthers, J. M., J. Chem. Inf Comput. Sci., 1995, 35, 188; Glen, R. C., Payne, A. W. R. J Comput.-Aided Mol-Des. 1995, 9, 181.
9. Sumpter, B. G. and Noid, D. W., Intelligent Engineering Systems Through Artificial Neural Networks, 1994, 4, 863; Sumpter, B. G, Noid, D. W., ANTEC 95, 2556; Venkatasubramamian, V., Chan, K., Caruthers, J. M., Comput. Chem. Eng. 1994, 18, 833; Venkatasubramamian, V., Chan, K., Caruthers, J. M., J. Chem. Inf Comput. Sci., 1995, 35, 188; Glen, R. C., Payne, A. W. R. J Comput.-Aided Mol-Des. 1995, 9, 181.
10. Sumpter, B. G. and Noid, D. W. J., Thermal Anal., 1996, 46, 833.
11. De Wei er, A. P., Buydens, L., Kateman, G. and Heuvel, H. M., Chem. Intel. Lab. Syst. 1992, 17, 77.
12. Weiss, S. H. and Kulidowski, C. A., Computer Systems that Learn: Classification and Prediction Methods from Statistics, Neural Nets, Machine Learning, and Expert Systems. Morgan Kauftnann, San Francisco, 1991.
13. Joyce, S. L, Osguthorpe, D. J., Padgett, J. A. and Price, G. J., J. Chem. Soc. Faraday Trans. 1995, 91, 2491.
14. van Krevlen, D. W., Properties of Polymers. Elsevier, Ansterdarn, 1990.
15. Bicerano, J., Prediction of Polymer Properties. Marcel Dekker, New York, 1993.
16. Porter, D., Group Interaction Modeling of Polymer Properties. Marcel Dekker, New York, 1995.
17. Tarasov, V. V., Zh. Fiz. Khim. 1953, 24, 1430; Russian J. Phys . Chem. 1965, 39, 1109.
18. Tarasov, V. V., Zh. Fiz. Khim. 1953, 24, 1430; Russian J. Phys . Chem. 1965, 39, 1109.
19. Askadskii, A. A., Physical Properties of Polymers: Prediction and Control. Gordon and Breach, Amsterdam, 1996.
20. Prigogine, L, Trappeniers, N. and Mathot, V., Discussion Faraday Soc., 1953, 15, 93. Prigogine, I., Bellernans, A., Naar-Colin, C., J. Chem. Phys., 1957, 26, 75.
21. Prigogine, L, Trappeniers, N. and Mathot, V., Discussion Faraday Soc., 1953, 15, 93. Prigogine, I., Bellernans, A., Naar-Colin, C., J. Chem. Phys., 1957, 26, 75.
22. Curro, J. G. and Schweizer, K. S., Macromolecules, 1987, 20, 1928. Schweizer, K. S., Curro, J. G., Phys. Rev. Lett. 1987, 58, 246, Curro, J. G., Schweizer, K. S., J. Chem. Phys. 1987, 87, 1842.
23. Curro, J. G. and Schweizer, K. S., Macromolecules, 1987, 20, 1928. Schweizer, K. S., Curro, J. G., Phys. Rev. Lett. 1987, 58, 246, Curro, J. G., Schweizer, K. S., J. Chem. Phys. 1987, 87, 1842.
24. Curro, J. G. and Schweizer, K. S., Macromolecules, 1987, 20, 1928. Schweizer, K. S., Curro, J. G., Phys. Rev. Lett. 1987, 58, 246, Curro, J. G., Schweizer, K. S., J. Chem. Phys. 1987, 87, 1842.
25. Chandler, D. and Andersen, H. C., J. Chem. Phys., 1972, 57, 1918; 1972, 57, 1918.
26. Chandler, D. and Andersen, H. C., J. Chem. Phys., 1972, 57, 1918; 1972, 57, 1918.
27. Schweizer, K. S. and Curro, J. G., Adv. Polym. Sci., 1994, 116, 319.
28. Freitag, D., Fengler, G. and Morbitzer, L., Angew. Chem. Int. Ed. Engl., 1991, 30, 1598.
29. Nagy, P. L., Ulmer, C. W., II and Smith, D. A., J. Chem. Phys., 1995, 102, 6812; unpublished results.
30. US Patent 5 629 404, May 13, 1997.