Rational design of a targeted combinatorial chemical library with opiatelike activity

International Journal of Quantum Chemistry

Volumn 69, Issue 1, 1998, Pages 65-75

  Zheng, Weifan ^a   Cho, Sung Jin ^a   Tropsha, Alexander ^a  

^a UNIVERSITY OF NORTH CAROLINA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0002619122     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(1998)69:1<65::AID-QUA9>3.0.CO;2-V     Document Type: Article

References (20)

1. M. A. Gallop, R. W. Barret, W. J. Dower, S. P. A. Fodor, and E. M. Gordon, J. Med. Chem. 37, 1233 (1994).
2. E. M. Gordon, R. W. Barret, W. J. Dower, S. P. A. Fodor, and M. A. Gallop, J. Med. Chem. 37, 1385 (1994).
3. L. H. Hall and L. B. Kier, Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds. (VCH, New York, 1991), Vol. 2, pp. 367-422.
4. G. M. Downs, and P. Willett, Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, (VCH, New York, 1996), Vol. 7, pp. 1-66.
5. R. D. Brown and Y. C. Martin, J. Chem. Inf. Comput. Sci. 36, 572 (1996).
6. D. E. Patterson, R. D. Cramer, A. M. Ferguson, R. D. Clark, and L. E. Weinberger, J. Med. Chem. 39, 3049 (1996).
7. R. P. Sheridan and S. K. Kearsley, J. Chem. Inf. Comput. Sci. 35, 310 (1995).
8. E. J. Martin, J. M. Blaney, M. A. Siani, D. C. Spellmayer, A. K. Wong, and W. H. Moos, J. Med. Chem. 38, 1431 (1995).
9. A. Polinski, R. D. Feinstein, S. Shi, and A. Kuki, In Molecular Diversity and Combinatorial Chemistry: Libraries and Drug Discovery, I. M. Chaiken, and K. D. Janda, Eds., ACS Conference Proceeding Series, American Chemical Society, Washington, DC, 1996, pp. 219-232.
10. D. B. Turner, S. M. Tyrell, and P. Willett, J. Chem. Inf. Comput. Sci. 37, 18 (1997).
11. D. J. Cummins, C. W. Andrews, J. A. Bentley, and M. Cory, J. Chem. Inf. Comput. Sci. 36, 750 (1996).
12. R. N. Zuckermann, E. J. Martin, D. C. Spellmayer, G. B. Stauber, K. R. Shoemaker, J. M. Kerr, G. M. Figliozzi, D. A. Goff, M. A. Siani, R. J. Simon, S. C. Banville, E. G. Brown, L. Wang, L. S. Richter, and W. H. Moos, J. Med. Chem. 37, 2678 (1994).
13. MOLCONN-X Version 2.0 (Hall Associates Consulting, Quincy, MA).
14. N. Metropolis, A. W. Rosenbluth, M. N. Rosenbluth, and A. H. Teller, J. Chem. Phys. 21, 1087 (1953).
15. L.-X. Sun, Y.-L. Xie, X.-H. Song, J.-H. Wang, and R.-Q. Yu, 18, 103 (1994).
16. N. Gilbert, Statistics (W.B. Saunders, Philadelphia, PA, 1976).
17. L. Kaufman and P. J. Rousseeuw, Finding Groups in Data: An Introduction to Cluster Analysis (Wiley, New York, 1989).
18. R. E. Carhart, D. H. Smith, and R. Venkataraghavan, J. Chem. Inf. Comput. Sci. 25, 64 (1985).
19. L. H. Hall, L. B. Kier, and B. B. Brown, J. Chem. Inf. Comput. Sci. 35, 1074 (1995).
20. R. P. Sheridan, M. D. Miller, D. J. Underwood, and S. K. Kearsley, J. Chem. Inf. Comput. Sci. 36, 128 (1996).