Multiobjective/multicriteria optimization and decision support in drug discovery

Comprehensive Medicinal Chemistry II

Volumn 4, Issue , 2006, Pages 767-774

  Afshar, M ^a   Lanoue, A ^a   Sallantin, J ^b  

^a Ariana Pharma   (France)

^b CNRS   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 41549135860     PISSN: None     EISSN: None     Source Type: Book    
DOI: None     Document Type: Chapter

References (35)

1. Ehrgott, M. ; Gandibleux, X., eds. Multiple Criteria Optimization: State of the Art Annotated Bibliographic Surveys; International Series in Operations Research & Management Science; Kluwer Academic Publishers: USA, 2002.
2. Morley, S. D.; Afshar, M. J Comput. Aided Mol. Des. 2004, 18, 189-208.
3. Cheng, L.; Subrahmanian, E.; Westerberg, A. W Ind. Eng. Chem. Res. 2005, 44, 2405-2415.
4. Deb, K. Multiobjective Optimization Using Evolutionary Algorithms'; Wiley: Chichester, UK, 2001.
5. Coello Coello, C. A.; Carlos, A.; Van Veldhuizen, D. A.; Lamont, G. B. Evolutionary Algorithms for Solving Multi-Objective Problems'; Kluwer Academic Publishers: New York, 2002.
6. Foncesca, C. A.; Fleming, P. J. In Proceedings of the Fifth International Conference on Genetic Algorithms, San Mateo, CA, 1993; Forrest, S., Ed.; Morgan Kauffman Publishers: San Francisco, CA, 1993, pp 416-423.
7. Fonseca, C. M.; Fleming, P J. IEEE Transactions on Systems, Man and Cybernetics 1998, 28, 26-37.
8. Horn, J.; Nafpliotis, N.; Goldberg, D. E. In Proceedings of the First IEEE Conference on Evolutionary Computation'; IEEE World Congress on Computational Intelligence, Vol. 1; IEEE Service Center: Piscataway, NJ, 1994; pp 82-87.
9. Knowles, J. D.; Corne, D. W Evol Comput. 2000, 8, 149-172.
10. Zitzler, E.; Thiele, L. IEEE Trans. Evol. Comput. 1999, 3, 257-271.
11. Deb, K.; Agrawal, S.; Pratab, A.; Meyarivan, T. KanGAL Report 200001·; Indian Institute of Technology: Kanpur, India, 2000.
12. Corne, D. W; Jerram N. R.; Knowles, J. D.; Oates, M. J. In Proceedings of the Genetic and Evolutionary Computation Conference (GECCO'2001);
13. Morgan Kaufmann Publishers: San Francisco, CA, 2001, pp 283-290.
14. Mitra, K; Majumdar, S; Raha, S Ind. Eng. Chem. Res. 2004, 43, 6055-6063.
15. O'Hagan, S.; Dunn, W B.; Brown, M.; Knowles, J. D.; Kell, D. B. Anal. Chem. 2005, 77, 290-303.
16. Handschuh, S.; Wagener, M.; Gasteiger, J. J. Chem. Inf. Comput. Sei. 1998, 38, 220-232.
17. Harik, G. R. In Finding Multimodal Solutions Using Restricted Tournament Selection, Proceedings of the 6th International Conference on Genetic Algorithms; Eshelman, L. J., Ed.; Morgan Kaufmann: San Francisco, CA, 1995, pp 24-31.
18. Agrafiotis, D. K. IBM J. Res. Dev. 2001, 45, 545-566.
19. Gillet, V. J.; Khatib, W; Willett, P; Fleming, P. J.; Green, D. V S. J. Chem. Inf. Comput. Sei. 2002, 42, 375.
20. Wright, T; Gillet, V J.; Green, D. V S.; Pickett, S. D. J. Chem. Inf. Comput. Sei. 2003, 43, 381.
21. Fonseca, C. M.; Fleming, P. J. Multiobjective Optimization and Multiple Constraint Handling with Evolutionary Algorithms. In Practical Approaches to Multi-Objective Optimization; Branke, J., Deb, K., Miettinen, K., Steuer, R. E., Eds.; Dagstuhl Seminar Proceedings Series; Denmark, 2005, p 237.
22. Brown, N.; McKay, B.; Gilardoni, F; Gasteiger, J. J. Chem. Inf. Comput. Sei. 2004, 44, 1079.
23. Nicolotti, O.; Gillet, V. J.; Fleming, P J.; Green, D. V S. J. Med. Chem. 2002, 45, 5069-5080.
24. Cottrell, S. J.; Gillet, V J.; Taylor, R.; Wilton, D. J. J. Comput. Aided Mol. Des. 2004, 18, 665-682.
25. Tsang, E. P. K. Foundations of Constraint Satisfaction; Academic Press: London, 1993.
26. Achlioptas, D.; Naor, A.; Peres, Y Nature 2005, 435, 759-764.
27. Dechter, R. Constraint Processing; Morgan Kaufmann Publishers: San Francisco, CA, 2003.
28. Bessiere, J. C. C.; Regin, R. H. C.; Yap, Y Zang Artif. Inteil. 2005, 165, 165-185.
29. Barnad, J. M. J. Chem. Inf. Comput. Sei. 1993, 33, 532-538.
30. Srinivasan, A.; King, R. D. Data Min. Knowl. Disc. 1999, 3, 37-57.
31. Liquière, M.; Sallantin, J. In ICML98; Morgan Kaufmann Publishers: Madison, Wisconsin, 1998, pp 305-317.
32. King, R. D.; Srinivasan, A.; Sternberg, M. J. E. New Gen. Comput. 1995, 13, 411-433.
33. Marchand-Geneste, N; Watson, K. A; Alsberg, B. K.; King, R. D. J. Med. Chem. 2002, 45, 399-409 (erratum in: J. Med. Chem. 2003, 46, 653).
34. Duquesne, M.; Sallantin, J. C. R Seances Acad. Sei. III 1981, 292, 495-498.
35. Richard, M.; Benigni, R. SAR QSAR Environ. Res. 2002, 13, 11-19.