Techniques for the design of molecules and combinatorial chemical libraries

2007 IEEE Congress on Evolutionary Computation, CEC 2007

Volumn , Issue , 2007, Pages 2435-2442

  Sedwell, A N ^a   Parmee, I C ^b  

^a EVOTEC UK LTD   (United Kingdom)

^b UNIVERSITY OF THE WEST OF ENGLAND   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

COMBINATORIAL CHEMICAL LIBRARIES; SILICO DRUG DISCOVERY;

COMPUTATIONAL METHODS; DRUG DELIVERY; OPTIMIZATION; SYSTEMS ANALYSIS;

MOLECULAR STRUCTURE;

EID: 55749110069     PISSN: None     EISSN: None     Source Type: Conference Proceeding    
DOI: 10.1109/CEC.2007.4424776     Document Type: Conference Paper

References (17)

1. B. Sharma, I. C. Parmee, M. Whittaker, A. Sedwell, "Drug Discovery: Exploring the Utility of Cluster Orientated Genetic Algorithms in Virtual Library Design", IEEE Congress on Evolutionary Computation, 2005, 1, 668-675
2. I. C. Parmee, "The Maintenance of Search Diversity for Effective Design Space Decomposition using Cluster Orientated Genetic Algorithms (COGAs) and MultiAgent Strategies (GAANT)", Proc. Adaptive Computing in Engineering Design and Control, 1996, University of Plymouth, UK, 128-138
3. I. C. Parmee, D. Cvetkovic, A. Watson, C. Bonham, "Multi-objective satisfaction within an interactive evolutionary design environment", Evolutionary Computation, 2000, 8, 197-222
4. I. C. Parmee, C. Bonham, "Towards the support of innovative conceptual design through interactive designer/evolutionary computing strategies", Artificial Intelligence for Engineering Design Analysis and Manufacturing, 2000, 14, 3-16
5. C. R. Bonham, I. C. Parmee, "Improving the performance of cluster orientated genetic algorithms (COGAs)", IEEE Congress on Evolutionary Computation, Washington D.C. 1996, 554-561
6. I. C. Parmee, J. A. Abraham, "Supporting implicit Learning via the Visualisation of COGA Multiobjective Data", IEEE Congress on Evolutionary Computation, Portland, USA, 2004, 395-402
7. J. A. Abraham, I. C. Parmee, "User Centric Evolutionary Design Systems - the visualisation of emerging multiobjective design information", Xth International Conference on Computing in Civil and Building Engineering, Weimar, 2004, June 02-04
8. R. S. Bohacek, C. McMartm, W. C. Guida, "The art and practise of structure-based drug design", Med. Res. Rev, 1996, 16(1), 3-50.
9. D. Maddalena, G. Snowdon, "Applications of genetic algorithms to drug design", Exp. Opm. Ther. Patents, 1997, 7(3), 247-254
10. V. J. Gillet, G. Myatt, Z. Zsoldos, A. P. Johnson, "SPROUT; HIPPO and CAESA: Tools for de novo structure generation and estimation of synthetic accessibility", Perpesctives in Drug Discovery and Design, 1995, 3, 34-50.
11. L. J. Fogel, A. J. Owens, M. J. Walsh, "Artificial Intelligence Through Simulated Evolution" John Wiley & Sons, new York, 1966
12. Molecular Operating Environment; Chemical Computing Group Inc. http://www.chemcomp.com/ (accessed March 2007)
13. yEd by yWorks, http://www.yworks.com (accessed March 2007)
14. N. H. Hauel, H. Nar, H. Priepke, U. Ries et al. "Structure-based Design of Novel Potent Nonpeptide Thrombin Inhibitors", J. Med. Chem. 2002, 45, 1757-1766
15. G. Jones, P. Willett, R. C. Glen, "Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation", J. Mol. Biol., 1995,245,43-53
16. Z. Wan, J. C. Boehm, M. J. Bower et al, "W-Phenyl-W-purm-6-yl Ureas: The Design and Synthesis of P38a MAP Kinase Inhibitors", Bioorg. Med. Chem. Lett. 2003, 13, 1191-1194
17. S. Forrest, "Documentation for prisoners dilemma and norms programs that use the genetic algorithm", Technical report, 1995, Univ. of Michigan