Monte Carlo Methods for Small Molecule High-Throughput Experimentation

Journal of Chemical Information and Computer Sciences

Volumn 41, Issue 4, 2001, Pages 950-957

  Chen, Ligang ^a   Deem, Michael W ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE;

COMBINATORIAL CHEMISTRY;

COMPUTER SIMULATION; GENETIC ALGORITHMS; MONTE CARLO METHODS; SYNTHESIS (CHEMICAL);

MOLECULAR PHYSICS;

EID: 0035412781     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci000151l     Document Type: Article

References (39)

1. Balkenhohl, F.; von dem Bussche-Hünnefeld, C.; Lansky, A.; Zechel, C. Angew. Chem., Int. Ed. Engl. 1996, 35, 2288-2377.
2. Jandeleit, B.; Schaefer, D. J.; Powers, T. S.; Turner, H. W.; Weinberg, W. H. Angew. Chem., Int. Ed. Engl. 1999, 38, 2494-2532.
3. McFarland, E. W.; Weinberg, W. H. Trends Biotechnol. 1999, 17, 107-115.
4. Furka, A.; Sebestyen, F.; Asgedom, M.; Dibo, G. Int. J. Peptide Protein Res. 1991, 37, 487-493.
5. Ohlmeyer, M. H. J.; Swanson, R. N.; Dillard, L. W.; Reader, J. C.; Asouline, G.; Kobayashi, R.; Wigler, M.; Still, W. C. Proc. Natl. Acad. Sci. U.S.A. 1993, 90, 10922-10926.
6. Francis, M. B.; Jamison, T. F.; Jacobsen, E. N. Curr. Opin. Chem. Biol. 1998, 2, 422-428.
7. Tan, D. S.; Foley, M. A.; Stockwell, B. R.; Shair, M. D.; Schreiber, S. L. J. Am. Chem. Soc. 1999, 121, 9073-9087.
8. Weinberg, W. H.; Jandeleit, B.; Self, K.; Turner, H. Curr. Opin. Solid State Mater. Sci. 1998, 3, 104-110.
9. Schreiber, S. L. Science 2000, 287, 1964-1969.
10. Nazarpack-Kandlousy, N.; Zweigenbaum, J.; Henion, J.; Eliseev, A. V. J. Comb. Chem. 1999, 1, 199-206.
11. Desai, M. C.; Zuckermann, R. N.; Moos, W. H. Drug Dev. Res. 1994, 33, 174-188.
12. Ajay,; Walters, W. P.; Murcko, M. A. J. Med. Chem. 1998, 41, 3314-3324.
13. Bures, M. G.; Martin, Y. C. Curr. Opin. Chem. Biol. 1998, 2, 376-380.
14. Drewry, D. H.; Young, S. S. Chemometr. Intell. Lab. 1999, 48, 1-20.
15. Hassan, M.; Bielawski, J. P.; Hempel, J. C.; Waldman, M. Mol. Divers. 1996, 2, 64-74.
16. Zheng, W.; Cho, S. J.; Tropsha, A. J. Chem. Inf. Comput. Sci. 1998, 38, 251-258.
17. Zheng, W.; Cho, S. J.; Tropsha, A. J. Chem. Inf. Comput. Sci. 1998, 38, 259-268.
18. Zheng, W.; Cho, S. J.; Waller, C. L.; Tropsha, A. J. Chem. Inf. Comput. Sci. 1999, 39, 738-746.
19. Reynolds, C. H. J. Comb. Chem. 1999, 1, 297-306.
20. Linusson, A.; Wold, S.; Nordén, B. Mol. Divers. 1999, 4, 103-114.
21. Falcioni, M.; Deem, M. W. Phys. Rev. E 2000, 61, 5948-5952.
22. Gobbi, A.; Poppinger, D. Biotechnol. Bioeng. 1998, 61, 47-54.
23. Weber, L.; Wallbaum, S.; Broger, C.; Gubernator, K. Angew. Chem., Int. Ed. Engl. 1995, 34, 2280-2282.
24. Sheridan, R. P.; Kearsley, S. K. J. Chem. Inf. Comput. Sci. 1995, 35, 310-320.
25. Singh, J.; Ator, M. A.; Jaeger, E. P.; Allen, M. P.; Whipple, D. A.; Soloweij, J. E.; Chowdhary, S.; Treasurywala, A. M. J. Am. Chem. Soc. 1996, 118, 1669-1676.
26. Brennan, M. B. Chem. Eng. News 2000, 78, 63-73.
27. Brown, R. D.; Clark, D. E. Expert Opinion Therapeutic Patents 1997, 8, 1447-1459.
28. Brown, R. D.; Martin, Y. C. J. Med. Chem. 1998, 40, 2304-2313.
29. Katritzky, A. R.; Kiely, J. S.; Hébert, N.; Chassaing, C. J. Comb. Chem. 2000, 2, 2-5.
30. Kauffman, S.; Levin, S. J. Theor. Biol. 1987, 128, 11-45.
31. Perelson, A. S.; Macken, C. A. Proc. Natl. Acad. Sci. U.S.A. 1995, 92, 9657-9661.
32. Bogard, L. D.; Deem, M. W. Proc. Natl. Acad. Sci. U.S.A. 1999, 96, 2591-2595.
33. Frenkel, D.; Smit, B. Understanding Molecular Simulatinn; Academic Press: San Diego, 1996.
34. Shuker, S. B.; Hajduk, P. J.; Meadows, R. P.; Fesik, S. W. Science 1996, 274, 1531-1534.
35. Fejzo, J.; Lepre, C. A.; Peng, J. W.; Bemis, G. W.; Ajay,; Murcko, M. A.; Moore, J. M. Chem. Biol. 1999, 6, 755-769.
36. Maly, D. J.; Choong, I. C.; Ellman, J. A. Proc. Natl. Acad. Sci. U.S.A. 2000, 97, 2419-2424.
37. Griffey, R. H.; Hofstadler, S. A.; Sannes-Lowery, K. A.; Ecker, D. J.; Crooke, S. T. Proc. Natl. Acad. Sci. U.S.A. 1999, 96, 10129-10133.
38. Swendsen, R. H.; Wang, J.-S. Phys. Rev. Lett. 1986, 57, 2607-2609.
39. Geyer, C. J. Markov Chain Monte Carlo Maximum Likelihood. In Computing Science and Statistics: Proceedings of the 23rd Symposium on the Interface; American Statistical Association: New York, 1991.