Biomedical Engineering Reference
In-Depth Information
3. J. Bajorath, G. M. Maggiora, M. Lajiness (Organizers), The emerging concepts of activity
landscapes and activity cliffs and their role in drug research,
240th National Meeting of
the American Chemical Society, Divisions of Chemical Information and Computers in
Chemistry
, Boston, Aug. 22-26,
2010
.
4. E. X. Esposito, A. J. Hopfinger, J. D. Madura,
Methods Mol. Biol.
2004
,
275
, 131-214.
5. J. Bajorath, L. Peltason, M. Wawer, R. Guha, M. J. Lajiness, J. H. Van Drie,
Drug Discov.
Today
2009
,
14
, 698-705.
6. H. Geppert, M. Vogt, J. Bajorath,
J. Chem. Inf. Model.
2010
,
50
, 205-216.
7. M. A. Johnson, G. M. Maggiora, Eds.,
Concepts and Applications of Molecular Similarity
,
Wiley, New York,
1990
.
8. V. Shanmugasundaram, G. M. Maggiora,
Proceedings of the 222nd American Chemical
Society National Meeting, Division of Chemical Information
, American Chemical Society,
Washington, DC, Chicago, Aug. 26-30,
2001
, abstr.
77
.
9. L. Peltason, J. Bajorath,
J. Med. Chem.
2007
,
50
, 5571-5578.
10. M. Wawer, L. Peltason, N. Weskamp, A. Teckentrup, J. Bajorath,
J. Med. Chem.
2008
,
51
, 6075-6084.
11. R. Guha, J. H. Van Drie,
J. Chem. Inf. Model.
2008
,
48
, 646-658.
12. G. M. Maggiora, V. Shanmugasundaram, M. S. Lajiness, T. N. Doman, M. W. Schulz, in:
Chemoinformatics in Drug Discovery
, T. I. Oprea, Ed., Wiley-VCH, Weinheim, Germany,
2005
, pp. 317-332.
13. J. Brown, E. Jacoby,
Mini Rev. Med. Chem.
2006
,
6
, 1217-1229.
14. L. Peltason, P. Iyer, J. Bajorath,
J. Chem. Inf. Model.
2010
,
50
, 1021-1033.
15. I. Borg, P. J. F. Groenen,
Modern Multidimensional Scaling: Theory and Applications
,
2nd ed., Springer-Verlag, New York,
2005
.
16. A. B. Yongye, K. Byler, R. Santos, K. Martınez-Mayorga, G. M. Maggiora, J. L. Medina-
Franco,
J. Chem. Inf. Model.
2011
,
51
, 1259-1270.
17. J. Perez-Villanueva, R. Santos, A. Hernandez-Campos, M. A. Giulianotti, R. Castillo,
J. L. Medina-Franco,
Med. Chem. Commun.
2011
,
2
, 44-49.
18. J. L. Medina-Franco, A. B. Yongye, J. Perez-Villanueva, R. A. Houghten, K. Martınez-
Mayorga,
J. Chem. Inf. Model.
2011
,
51
, 2427-2439.
19. L. Peltason, Y. Hu, J. Bajorath,
ChemMedChem
2009
,
4
, 1864-1873.
20. D. Dimova, M. Wawer, A. M. Wassermann, J. Bajorath,
J. Chem. Inf. Model.
2011
,
51
,
256-288.
21. J. Waddell, J. L. Medina-Franco,
Bioorg. Med. Chem.
,
2012
,
20
, 5443-5452.
22. R. Guha, J. H. Van Drie,
J. Chem. Inf. Model.
2008
,
48
, 1716-1728.
23. M. Wawer, L. Peltason, J. Bajorath,
J. Med. Chem.
2009
,
52
, 1075-1080.
24. P. Iyer, D. Stumpfe, J. Bajorath,
J. Chem. Inf. Model.
2011
,
51
, 1281-1286.
25. P. Iyer, J. Bajorath,
Chem. Biol. Drug Desi.
2011
,
78
, 778-786.
26. M. Wawer, J. Bajorath,
J. Med. Chem.
2011
,
54
, 2944-2951.
27. P. W. Kenny, J. Sadowski, in:
Chemoinformatics in Drug Discovery
, T. I. Oprea, Ed.,
Wiley-VCH, Weinheim, Germany,
2005
, pp. 271-285.
28. P. Iyer, J. Bajorath,
Med. Chem. Commun.
2012
,
3
, 441-448.
29. M. Wawer, J. Bajorath,
J. Chem. Inf. Model.
2010
,
50
, 1395-1409.
30. M. Wawer, J. Bajorath,
ACS Med. Chem. Lett.
2011
,
2
, 201-206.
