Cluster-based selection

Perspectives in Drug Discovery and Design

Volumn 7--8, Issue , 1997, Pages 51-63

  Dunbar Jr , James B ^a  

^a PFIZER INC   (United States)

Author keywords

Clustering; Compound acquisition; Compound selection; Molecular fingerprint

Indexed keywords

EID: 0642270782     PISSN: 09282866     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (23)

1. Willett, P., Similarity and Clustering in Chemical Information Systems, Research Studies Press, Letchworth, 1987.
2. Sneath, P.H.A. and Sokal, R.R., Numerical Taxonomy, Freeman, San Francisco, CA, 1973.
3. Jarvis, R.A. and Patrick, E.A., IEEE Trans. Comput., C-22 (1973) 1025.
4. Shemetulskis, N.E., Dunbar Jr., J.B., Dunbar, B.W., Moreland, D.W. and Humblet, C., J. Comput.-Aided Mol. Design, 9 (1995) 407.
5. Chemical Abstract Service, Columbus, OH.
6. Daylight Chemical Information Software, Daylight Chemical Information Inc., Mission Viejo, CA.
7. Turner, D.B., Tyrell, S.M. and Willett, P., J. Chem. Inf. Comput. Sci., 37 (1997) 18.
8. Brown, R.D. and Martin, Y.C., J. Chem. Inf. Comput. Sci., 36 (1996) 572.
9. Brown, R.D., Bures, M.G. and Martin, Y.C., Similarity and cluster analysis applied to molecular diversity, American Chemical Society Meeting, Anaheim, CA, 1995, COMP3.
10. Maccs II, Molecular Design Ltd., San Leandro, CA.
11. Unity, Tripos Inc., St. Louis, MO.
12. Bures, M.G., Brown, R.D. and Martin, Y.C., Analyzing large chemical databases to increase the diversity of a corporate compound collection, American Chemical Society Meeting, Chicago, IL, 1995.
13. Lewis, R., Mason, J. and Menard, P., Rational screening sets: Approaches and comparison using structural and property diversity methods, American Chemical Society Meeting, Washington, DC, 1995.
14. Davies, K., In Chaiken, I.M. and Janda, K.D. (Eds.) Molecular Diversity and Combinatorial Chemistry, American Chemical Society, Washington, DC, 1996, pp. 309-316.
15. Optiverse library, Tripos Inc., St. Louis, MO; Panlabs Inc., Bothell, WA.
16. Patterson, D.E., Cramer, R.D., Ferguson, A.M., Clark, R.D. and Weinberger, L.E., J. Med. Chem., 39 (1996) 3049.
17. Cramer, R.D., Clark, R.D., Patterson, D.E. and Ferguson, A.M., J. Med. Chem., 39 (1996) 3060.
18. Matter, H. and Lassen, D., Chim. Oggi, 14 (1996) 9.
19. Brown, R.D. and Martin, Y.C., J. Chem. Inf. Comput. Sci., 37 (1997) 1.
20. Davies, K. and Briant, C., Combinatorial chemistry library design, using pharmacophore diversity, Network Science, http://www.awod.com/netsci/Science/Combichem/feature05.html.
21. Pearlman, R.S., Novel software tools for addressing chemical diversity, Network Science, http://www.awod.com/netsci/Science/Combichem/feature08.html.
22. Moreau, G., Proceedings of the IBC meeting on Combinatorial Chemistry, London, 1995.
23. Barnard Chemical Information Ltd., Stannington, Sheffield.