Virtual screening of materials using neuro-genetic approach: Concepts and implementation

Computational Materials Science

Volumn 45, Issue 1, 2009, Pages 52-59

  Farrusseng, David ^a   Clerc, Frederic ^a,b   Mirodatos, Claude ^a   Rakotomalala, Ricco ^b  

^a UNIVERSITÉ LYON 1   (France)

^b UNIVERSITÉ LUMIÈRE LYON 2   (France)

Author keywords

Catalysis; Combinatorial chemistry; Genetic algorithm; High throughput screening; Iterative optimization; Knowledge discovery; Library design

Indexed keywords

BIOASSAY; BIOCHIPS; CATALYSIS; GENETIC ALGORITHMS; LEARNING SYSTEMS; MICROARRAYS; NEURAL NETWORKS; OPTIMIZATION; SULFUR COMPOUNDS; THROUGHPUT;

COMBINATORIAL CHEMISTRY; GENETIC ALGORITHM; HIGH THROUGHPUT SCREENING; ITERATIVE OPTIMIZATION; KNOWLEDGE DISCOVERY; LIBRARY DESIGN;

COMBINATORIAL MATHEMATICS;

EID: 59949088973     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2008.03.060     Document Type: Article

References (21)

1. Klanner C., Farrusseng D., Baumes L., et al. Angewandte Chemie International Edition 43 40 (2004) 5347-5349
2. J.H. Holland, Adaptation in Natural and Artificial Systems, University of Michigan Press, Ann Arbor, MI, 1975 (second ed., MIT Press, 1992).
3. Jin Y. Soft Computing 9 1 (2003) 3
4. K. Sastry, D.E. Goldberg, M. Pelikan, in: Proceedings of the Genetic and Evolutionary Computation Conference, 2001, pp. 551-558.
5. K.S. Anderson and Y.H. Hsu, in: Congress on Evolutionary Computation, edited by IEEE, Washington, 1999, pp. 527.
6. K. Rasheed, H. Hirsh, in: Proceedings of the Genetic and Evolutionary Computation Conference, 2000, pp. 628.
7. M. El-Beltagy, P.B. Nair, A.J. Keane, in: Genetic and Evolutionary Computation Conference, 1999, pp. 196.
8. Ratle A. PPSN V 87 (1998)
9. Pereira S.R.M., Clerc F., Farrusseng D., et al. QSAR & Comb. Sci. 24 1 (2005) 45
10. Farrusseng D., Klanner C., Baumes L., et al. QSAR & Comb. Sci. 24 1 (2005) 78-93
11. Fu L. Neural Networks in Computer Intelligence (1994), McGraw-Hill, New York
12. Hattori T., and Kito S. Catal. Today 10 2 (1995) 213
13. Serra J.M., Corma A., Chica J., et al. Catal. Today 81 (2003) 393-403
14. R Cundari T., Deng J., and Zhao Y. Ind. Eng.Chem. Res. 40 (2000) 5475
15. StatSoft, Inc.
16. Haykin S. Neural Networks: A Comprehensive Foundation (1998), Prentice Hall PTR Upper Saddle River, NJ, USA
17. Broomhead D.S., and Lowe D. Complex Systems 2 (1988) 321
18. Moody J., and Darken C. Neural Computation 1 (1989) 289
19. http://a.farrusseng.free.fr.
20. Corma A., Serra J.M., Serna P., et al. J. Catal. 229 2 (2005) 513
21. Rodemerck U., Baerns M., Holena M., et al. App. Surf. Sci. 223 (2003)