Application of artificial neural networks to combinatorial catalysis: Modeling and predicting ODHE catalysts

ChemPhysChem

Volumn 3, Issue 11, 2002, Pages 939-945

  Corma, Avelino ^a   Serra, Jóse M ^a   Argente, Estefania ^b   Botti, Vicente ^b   Valero, Soledad ^b  

^a INSTITUTO DE TECNOLOGÍA QUÍMICA   (Spain)

^b UNIVERSITAT POLITÈCNICA DE VALÈNCIA   (Spain)

Author keywords

Combinatorial catalysis; Combinatorial chemistry; Heterogeneous catalysis; Neural networks; ODHE processes

Indexed keywords

BIOCHIPS; CATALYST SELECTIVITY; CLUSTERING ALGORITHMS; DEHYDROGENATION; ETHYLENE; INFORMATION MANAGEMENT; NEURAL NETWORKS; OPTIMIZATION;

CATALYST COMPOSITION; CATALYTIC PERFORMANCE; COMBINATORIAL APPROACH; COMBINATORIAL CATALYSIS; COMBINATORIAL CHEMISTRY; EVOLUTIONARY OPTIMIZATIONS; HIGH DIMENSIONAL DATA; OXIDATIVE DEHYDROGENATION OF ETHANES;

CATALYSIS;

ETHANE;

AB INITIO CALCULATION; ARTICLE; ARTIFICIAL NEURAL NETWORK; CATALYSIS; COMBINATORIAL CHEMISTRY; HYDROGENATION; OXIDATION;

EID: 0037112684     PISSN: 14394235     EISSN: None     Source Type: Journal    
DOI: 10.1002/1439-7641(20021115)3:11<939::AID-CPHC939>3.0.CO;2-E     Document Type: Article

References (28)

1. S. Senkan,Angew. Chem. 2001, 113, 322-341; Angew. Chem. Int. Ed. 2001, 40, 312-329.
2. S. Senkan,Angew. Chem. 2001, 113, 322-341; Angew. Chem. Int. Ed. 2001, 40, 312-329.
3. S. Senkan, Nature 1998, 394, 350-353.
4. A. Corma, J. M. Serra, A. Chica, in Principles and methods for Accelerated Catalyst Design and Testing (Eds.: E. G. Derouane, V. Parmon, F. Lemos, F. Ramôa Ribero) Kluwer Academic, Dordrecht, 2000, pp. 153-172.
5. Design of Industrial Catalysts (Ed.: D. L. Trimm), Elsevier, Amsterdam, 1980.
6. M. Negnevitsky, Artificial Intelligence: A Guide to Intelligent Systems, Addison Wesley, Harlow, 2002.
7. K. Wang, L. Wang, Q. Yuan, S. Luo, J. Yao, S. Yuan, C. Zheng, J. Brandt, J. Mol. Graph. Model. 2001, 19, 427-433.
8. P. Gedeck, P. Willett, Curr. Opin. Chem. Bio. 2001, 5, 389-395.
9. K. Rajan, M. Zaki, K. Bennett, Abstr. Pap.-Am. Chem. Soc. 2001, 221st BTEC-063.
10. Y. Yamada, T. Kobayashi, N. Mizuno, Shokubai 2001, 43, 310-315.
11. E. Korting, M. Baerns, in Computer-Aided Innovation of New Materials II (Eds.: M. Doyama, J. Kihara, M. Tanaka, R. Yamamoto), Elsevier, Amsterdam, 1993.
12. T. Hattori, S. Kito, Catal. Today 1995, 23, 347-355.
13. Z. Y. Hou, Q. L. Dai, X. Q. Wu, G. T. Chen, Appl. Catal. A 1997, 161, 183-190.
14. K. Huang, F. Q. Chen, D. W. Lü, Appl. Catal. A 2001, 219, 61-68.
15. M. Sasaki, H. Hamada, Y. Kintaichi, T. Ito, Appl. Catal. 1995, 132, 261-270.
16. O. V. Buyevskaya, A. Brückner, E. V. Kondratenko, D. Wolf, M. Baerns, Catal. Today 2001, 67, 369-378.
17. D. Wolf, O.V. Buyevskaya, M. Baerns, Appl. Catal. 2000, 200, 63-77.
18. D. Wolf, O. Gerlach, M. Baerns, European patent application 1174186, 2002.
19. J. A. Freeman, D. M. Skapura, Neural Networks: Algorithms, Applications and Programming Techniques, Addison-Wesley, Boston, MA, 1992.
20. C. M. Bishop, Neural Networks for Pattern Recognition, Clarendon Press, Oxford, 1996.
21. B. D. Ripley, Pattern Recognition and Neural Networks, Cambridge University Press, Cambridge, 1996.
22. R. Duda, P. Hart, D. Stork, Pattern Classification, John Wiley, New York, NY, 2001.
23. T. Kohonen, An Introduction to Neural Computing, Neural Networks Vol. 1, 1988, pp. 3-16.
24. S. Russell, P. Norvig. Artificial Intelligence. A Modern Approach, Prentice Hall International, Upper Saddle River, NJ, 1995.
25. A. Zell, G. Mamier, M. Vogt, SNNS - Stuttgart Neural Network Simulator. User Manual, Version 4.1, University of Stuttgart, Stuttgart, 1995.
26. U. Ratsch, M. Richter, I.-O. Stamatescu, Intelligence and Artificial Intelligence: An Interdisciplinary Debate, Springer, Berlin, 1998.
27. J. Zupan, J. Gasteiger, Angew. Chem. 1993, 105, 510-536; Angew. Chem. Int. Ed. EngL 1993, 32, 503-527.
28. J. Zupan, J. Gasteiger, Angew. Chem. 1993, 105, 510-536; Angew. Chem. Int. Ed. Engl 1993, 32, 503-527.