Intelligent Combinatorial Libraries

Computer-Assisted Lead Finding and Optimization: Current Tools for Medicinal Chemistry

Volumn , Issue , 2007, Pages 189-208

  Lundstedt, Torbjörn ^a   Clementi, Sergio ^b   Cruciani, Gabriele ^b   Pastor, Manual ^b   Kettaneh, Nouna ^c   Andersson, Per M ^d   Linusson, Anna ^d   Sjoström, Michael ^d   Wold, Svante ^d   Nordén, Bo ^e  

^a Structure Property Optimization Centre   (Sweden)

^b UNIVERSITY OF PERUGIA   (Italy)

^c MDS Inc   (Canada)

^d UMEÅ UNIVERSITY   (Sweden)

^e ASTRAZENECA R AND D   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

BIOACTIVITY; DRUG PRODUCTS; LIBRARIES; MULTIVARIANT ANALYSIS; PRINCIPAL COMPONENT ANALYSIS; SYNTHESIS (CHEMICAL);

BIOLOGICAL TESTING; BUILDING BLOCKES; CHEMICAL DIVERSITY; COMBINATORIAL LIBRARY; HIGH THROUGHPUT SCREENING; MULTIVARIATE DESIGN; SOLID PHASE SYNTHESIS; SYNTHETIC FEASIBILITY;

LEAD COMPOUNDS;

EID: 84951736607     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1002/9783906390406.ch12     Document Type: Chapter

References (29)

1. B. Spilker. 'Multinational Drug Companies'. Issues in Drug Discovery and Development. Raven Press, New York, 1989.
2. H. van de Waterbeemd (Ed.), 'QSAR: Chemometric Methods in Molecular Design. Methods and Principles in Medicinal Chemistry', Vol 2., Verlag Chemie, Weinheim, Germany, 1995.
3. H. Kubinyi. (Ed.), '3D QSAR in Drug Design; Theory, Methods and Applications'. ESCOM Science Publishers, Leiden, Holland, 1993.
4. R. A. Houghten, C. Pinilla, S. E. Bondelle, J. R. Appel, C. T. Dooley, J. H. Cuervo. Nature, 1991,354,84-86.
5. H. M. Geysen, R. H. Meloen and S. J. Barteling. Proc. Natl. Acad. Sci. USA. 1984,81, 3998-4002.
6. R. A. Houghten. General method for the rapid solid-phase synthesis of large numbers of peptides: Specificity of antigen-antibody interaction a the level of individual ami no acids. Proc. Natn. Acad. Sci. USA. 1985,82,5131-5135.
7. E. J. Martin, J. M. Blaney, M. A. Siani, D. C. Spellmyer, A. K. Wong, W. H. Moos. J. Med. Chem. 1995,38,1431-1436.
8. S. S. Young, D. M. Hawkins. J. Med. Chem. 1995,38 2784-2788.
9. H. van de Waterbeemd, G. Constantino, S. Dementi, G. Cruciani, R. Valigi. 'Disjoint Principal Properties of Organic Substituents'. In QSAR: Chemometric Methods in Molecular Design (Ed. H. van de Waterbeemd), Methods and Principles in Medicinal Chemistry, Vol 2., Verlag Chemie, Weinheim, Germany, 1995.
10. S. Hellberg, M. Sjöström, S. Wold. Acta Chem. Scand. 1986, B40,135-140.
11. J. Jonsson, L. Eriksson, S. Hellberg, M. Sjöström, S. Wold. Quant. Struct.-Act. Relat. 1989, 8, 204-209.
12. M. Sandberg, J. Jonsson, S. Wold. Principal Properties for an extended set of 77 ami no acids. In manuscript, 1996.
13. R. Carlson, M. P. Prochazka, T. Lundstedt. Acta Chem. Scand. 1988, B42,145-156.
14. C. Hansch, A.J Leo. Substituent Constants for Correlation Analysis in Chemistry and Biology, Wiley, New York, 1979.
15. B. Skagerberg, D. Bonelli, S. Dementi, G. Cruciani, C. Ebert. Principal properties of organic aromatic substituents. Quant. Struct-ActJielat. 1989,8,32-38.
16. P. J. Goodford. J. Med. Chem. 1985,28,849-57.
17. S. Dementi, G. Cruciani, P. Fili, D. Riganelli, R. Valigi, G. Musumarra. Quant. Struct-Act. Relat. 1996, 75,108-120.
18. S. Wold, M. Sjöström, R. Carlson, T. Lundstedt, S. Hellberg, B. Skagerberg, C. Wikstrflm, J. Ohman. Anal. Chim. Acta 1986,191,17-32.
19. R. Carlson, Design and optimization in organic synthesis. Elsevier, Amsterdam, 1992.
20. G. E. P. Box, W. G. Hunter, J. S. Hunter Statistics for experimenters. Wiley, New York, 1978.
21. M. Baroni, S. Dementi, G. Cruciani, N. Kettaneh-Wold, S. Wold. Quant. Struct.-Act. Relat. 1993,12,225-231.
22. R. W. Gunderson, K. R. Thrane, R. D. Nilson. Chemometrics and Intell. Lab. Syst. 1992, 3, 119-131.
23. S. Wold, K. Andersson. J. Chromatogr. 1973,80,43.
24. S. Wold, E. Johansson, M. Cocchi. 'PLS - Partial least-squares projections to latent structures'. In H. Kubinyi, Ed., 3D QSAR in Drug Design; Theory, Methods and Applications. ESCOM Science Publishers, Leiden, Holland, 1993,523-550.
25. S. Wold. 'PLS for Multivariate Linear Modeling'. In QSAR: Chemometric Methods in Molecular Design (Ed. H. van de Waterbeemd), Methods and Principles in Medicinal Chemistry, Vol 2., Verlag Chemie, Weinheim, Germany, 1995,195-218.
26. Scitec Laboratory Automation SA, Av. de Provence 18, CH-1007 Lausanne, Switzerland.
27. H. M. Geysen, S. J. Rodda, T. J. Mason. Molec. Immun. 1986,23,709-715.
28. T. Lundstedt, R. Carlson, R. Shabana. Acta Chem. Scand. 1987, B41,157-163.
29. R. Carlson, T. Lundstedt. Acta Chem. Scand. 1987, B41,164-173.