Computer-based screening of compound databases for the identification of novel leads

Drug Discovery Today

Volumn 1, Issue 9, 1996, Pages 363-370

  Finn, Paul W ^a  

^a PFIZER GLOBAL RESEARCH AND DEVELOPMENT   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000850943     PISSN: 13596446     EISSN: None     Source Type: Journal    
DOI: 10.1016/1359-6446(96)10033-7     Document Type: Review

References (53)

1. Sadowski, J., Gasteiger, J. and Klebe, G. (1994) J. Chem. Inf. Comput. Sci. 34, 1000-1008
2. Manallack, D.T. (1996) Drug Discovery Today 1, 231-238
3. Allen, F.H. et al. (1991) J. Chem. Inf. Comput. Sci. 31, 187-204
4. Ward, W.H.J. et al. (1994) Biochem. Pharmacol. 48, 659-666
5. Grindley, H.M. et al. (1993) J. Mol. Biol. 229, 707-721
6. Willett, P., Winterman, V. and Bawden, D. (1986) J. Chem. Inf. Comput. Sci. 26, 36-41
7. Moock, T.E. et al. (1988) Tetrahedron Comput. Methodol. 1, 117-128
8. Kearsley, S.K. et al. (1996) J. Chem. Inf Comput. Sci 36, 118-127
9. Carhart, R.E., Smith, D.H. and Venkataraghavan, R. (1985) J. Chem. Inf. Comput. Sci. 25, 64-73
10. Nilakantan, R. et al. (1987) J. Chem. Inf. Comput. Sci. 27, 82-85
11. Pepperrell, C.A. and Willett, P. (1991) J. Comput.-Aided Mol. Design 5, 455-474
12. Willett, P. (1995) J. Mol. Recog. 8, 290-303
13. Sheridan, R.P. et al. (1996) J. Chem. Inf. Comput. Sci 36, 128-136
14. Kearsley, S.K. et al. (1994) J. Comput.-Aided Mol. Design 8, 565-582
15. Greene, J. et al. (1994) J. Chem. Inf. Comput. Sci. 34, 1297-1308
16. Jakes, S.E. et al. (1987) J. Mol. Graph. 5, 41-48
17. Van Drie, J.H., Weininger, D. and Martin, Y.C. (1989) J. Comput.-Aided Mol. Design 3, 225-251
18. Sheridan, R.P. et al. (1989) J. Chem. Inf. Comput. Sci. 29, 255-260
19. Leach, A.R. (1994) J. Chem. Inf. Comput. Sci. 34, 661-670
20. Smellie, A., Teig, S.L. and Towbin, P. (1995) J. Comput. Chem. 16, 171-187
21. Smellie, A., Kahn, S.D. and Teig, S.L. (1995) J. Chem. Inf. Comput. Sci. 35, 285-294
22. Smellie, A., Kahn, S.D. and Teig, S.L. (1995) J. Chem. Inf. Comput. Sci. 35, 295-304
23. Murrall, N.W. and Davies, E.K. (1990) J. Chem. Inf. Comput. Sci. 30, 312-316
24. Moock, T.E. et al. (1994) J. Chem. Inf. Comput. Sci. 34, 184-189
25. Hurst, T. (1994) J. Chem. Inf. Comput. Sci. 34, 190-196
26. Clark, D.E. et al. (1994) J. Chem. Inf. Comput. Sci. 34, 197-206
27. Rando, R.R. and Kishi, Y. (1992) Biochemistry 31, 2211-2218
28. Wang, S. et al. (1994) J. Med. Chem. 37, 4479-4489
29. Milne, G.W.A. et al. (1994) J. Chem. Inf. Comput. Sci. 34, 1219-1224
30. Kiyama, R. et al. (1995) J. Med. Chem. 38, 2728-2741
31. D'Agostino, G. et al. (1994) J. Pharm. Pharmacol. 46, 332-336
32. Goodford, P.J. (1985) J. Med. Chem. 28, 849-857
33. Lawrence, M.C. and Davis, P.C. (1992) Proteins 12, 31-41
34. Bures, M.G. et al. (1990) Tetrahedron Comput. Methodol. 3, 673-680
35. Lam, P.Y.S. et al. (1994) Science 263, 380-384
36. Kuntz, I.D. et al. (1982) J. Mol. Biol. 161, 269-288
37. DesJarlais, R.L. et al. (1988) J. Med. Chem. 31, 722-729
38. Meng, E.C., Shoichet, B.K. and Kuntz, I.D. (1992) J. Comput. Chem. 13, 505-524
39. Grootenhuis, P.D.J. et al. (1990) Anti-Cancer Drug Design 5, 237-242
40. Shoichet, B.K. et al. (1993) Science 259, 1445-1450
41. DesJarlais, R.L. et al. (1990) Proc. Natl. Acad. Sci. U. S. A. 87, 6644-6648
42. Ring, C.S. et al. (1993) Proc. Natl. Acad. Sci. U. S. A. 90, 3583-3587
43. Blaney, J.M. and Dixon, J.S. (1993) Perspect. Drug Des. Discovery 1, 301-319
44. Willett, P., Winterman, V. and Bawden, D. (1986) J. Chem. Inf. Comput. Sci. 26, 109-118
45. Downs, G.M., Willett, P. and Fisanick, W. (1994) J. Chem. Inf. Comput. Sci. 34, 1094-1102
46. Boyd, S.M. et al. (1995) J. Comput.-Aided Mol. Design 9, 417-424
47. Brown, R.D. and Martin, Y.C. (1996) J. Chem. Inf. Comput. Sci. 36, 572-584
48. Ho, C.M.W. and Marshall, G.R. (1995) J. Comput.-Aided Mol. Design 9, 65-86
49. Clark, D.E., Firth, MA and Murray, C.W. (1996) J. Chem. Inf. Comput. Sci. 36, 137-145
50. Martin, Y.C. (1992) J. Med. Chem. 35, 2145-2154
51. Mason, J.S. (1995) in Molecular Similarity in Drug Design (Dean, P.M., ed.), pp. 138-162, Blackie Academic and Professional
52. Lauri, G. and Bartlett, P.A. (1994) J. Comput.-Aided Mol. Design 8, 51-66
53. Sheridan, R.P. and Kearsley, S.K. (1995) J. Chem. Inf. Comput. Sci. 25, 310-320