Classification of a large anticancer data set by Adaptive Fuzzy Partition

Journal of Computer-Aided Molecular Design

Volumn 18, Issue 7-9, 2004, Pages 577-586

  Piclin, Nadège ^a   Pintore, Marco ^a   Wechman, Christophe ^b   Chrètien, Jacques R ^b  

^a BioChemics Consulting   (France)

^b UNIVERSITÉ D'ORLÉANS   (France)

Author keywords

Adaptive Fuzzy Partition; Anticancer activity; Data mining; Drug discovery; Genetic Algorithms; Model validation

Indexed keywords

CLASSIFICATION (OF INFORMATION); CONFORMAL MAPPING; DATA MINING; FUZZY LOGIC; SELF ORGANIZING MAPS;

ADAPTIVE FUZZY PARTITION; ADAPTIVE-FUZZY; ANTICANCER ACTIVITIES; DATA SET; DESCRIPTORS; DRUG DISCOVERY; FUZZY PARTITION; FUZZY-LOGIC; MODEL VALIDATION; PARTITION ALGORITHMS;

GENETIC ALGORITHMS;

ALKYLATING AGENT; ANTHRACYCLINE; ANTIMITOTIC AGENT; ANTINEOPLASTIC AGENT; ANTINEOPLASTIC ANTIMETABOLITE; AROMATASE INHIBITOR; DNA TOPOISOMERASE INHIBITOR; PROTEIN FARNESYLTRANSFERASE INHIBITOR; PROTEIN TYROSINE KINASE INHIBITOR;

ACCURACY; ARTICLE; CLASSIFICATION; CONTROLLED STUDY; DRUG MECHANISM; GENETIC ALGORITHM; INFORMATION PROCESSING; LINGUISTICS; MATHEMATICAL COMPUTING; MODEL; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SCORING SYSTEM; STRUCTURE ACTIVITY RELATION; VALIDATION PROCESS;

EID: 20844445791     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10822-004-4076-0     Document Type: Article

References (38)

1. Boyd, M.R., In Teicher B.A. (Ed.), Anticancer Drug Development Guide: Preclinical Screening, Clinical Trials, and Approval. Humana Press, Totowa, NJ, 1997, pp. 23-42.
2. MDL® Drug Data Report. MDL Information Systems Inc., San Leandro, CA, 2004.
3. P. Willett 1997 Perspect. Drug Discov. Des. 7/8 1
4. D.M. Bayada H. Hamersma V.J. van Geerestein 1999 J. Chem. Inf. Comput. Sci., 39 1
5. E.M. Gordon J.F. Kerwin Jr. 1998 Combinatorial Chemistry and Molecular Diversity in Drug Discovery Wiley New York
6. H. van de Waterbeemd 1995 Chemometric Methods in Molecular Design VCH, Weinheim Germany
7. H. Kubinyi G. Folkers Y.C. Martin 1998 3D QSAR in Drug Design, Recent Advances Kluwer Escom Dordrecht, The Netherlands
8. K. Paull R.H. Shoemaker L. Hodes A. Monks D.A. Scudiero L. Rubinstein J. Plowman M.R. Boyd 1989 J. Natl. Cancer Inst., 81 1088
9. Paull, K., Hamel, E. and Malspeis, L., In Foye, W.O. (Ed.), Cancer Chemotherapeutic Agents. American Chemical Society Books, Washington, DC, 1995, pp. 9-45.
10. J.N. Weinstein K.W. Kohn M.R. Grever V.N. Viswanadhan L.V. Rubinstein A.P. Monks D.A. Scudiero L. Welch A.D. Koutsoukos A.J. Chiausa K.D. Paull 1992 Science 258 447
11. W.W. van Osdol T.G. Myers K.D. Paull K.W. Kohn J.N. Weinstein 1994 J. Natl. Cancer Inst. 86 1853
12. A.D. Koutsoukos L.V. Rubinstein D. Faraggi R.M. Simon S. Kalyandrug J.N. Weinstein K.W. Kohn K.D. Paull 1994 Stat Med. 13 719
13. J.N. Weinstein T.G. Myers P.M. O'Connor S.H. Friend A.J. Fornace Jr. K.W. Kohn T. Fojo S.E. Bates L.V. Rubinstein N.L. Anderson J.K. Buolamwini W.W. van Osdol A.P. Monks D.A. Scudiero E.A. Sausville D.W. Zaharevitz B. Bunow V.N. Viswanadhan G.S. Johnson R.E. Wittes K.D. Paull 1997 Science 275 343
14. L.M. Shi Y. Fan J.K. Lee M. Waltham D.T. Andrews U. Scherf K.D. Paull J.N. Weinstein 2000 J. Chem. Inf. Comput. Sci. 40 367 10.1021/ci990087b 1:CAS:528:DyaK1MXnvFKgsb0%3D 10761142
15. L.M. Shi T.G. Myers Y. Fan P.M. O'Connor K.D. Paull S.H. Friend J.N. Weinstein 1998 Mol. Pharmacol. 53 241
16. Y. Fan L.M. Shi K.W. Kohn Y. Pommier J.N. Weinstein 2001 J. Med. Chem. 44 3254
17. P. Blower M. Fligner J. Verducci J. Bjoraker 2002 J. Chem. Inf. Comput. Sci. 42 393
18. V.V. Poroikov D.A. Filimonov W.D. Ihlenfeldt T.A. Gloriozova A.A. Lagunin Y.V. Borodina A.V. Stepanchikova M.C. Nicklaus 2003 J. Chem. Inf. Comput. Sci. 43 228
19. J. Folkman 1995 Nat. Med. 1 27
20. CIPSLINE ® Prous Science, Barcelona, Spain, 2003.
21. F. Ros M. Pintore J.R. Chrétien 2002 Chemometr. Intell. Lab. 63 15
22. Zadeh, L.A., In Van Ryzin, J. (Ed.), Classification and Clustering. Academic Press, New York Syst., 1977, pp. 251-299.
23. F. Ros O. Taboureau M. Pintore J.R. Chrétien 2003 Chemometr. Intell. Lab. Sys. 67 29
24. M. Pintore N. Piclin E. Benfenati G. Gini J.R. Chrétien 2003 Environ. Toxicol. Chem. 22 983
25. M. Pintore H. van de Waterbeemd N. Piclin J.R. Chrétien 2003 Eur. J. Med. Chem. 38 427
26. M. Pintore K. Audouze F. Ros J.R. Chretien 2002 Data Sci. J. 1 99
27. A. Tropsha P. Grammatica V.K. Gombar 2003 QSAR. Comb. Sci., 22 69
28. MDL® QSAR version 2.2. MDL Information Systems Inc., San Leandro, CA, 2003.
29. M. Pintore O. Taboureau F. Ros J.R. Chrétien 2001 Eur. J. Med. Chem. 36 349
30. R.L. Haupt S.E. Haupt 1998 (Eds.), Practical Genetic Algorithms Wiley New York
31. R. Leardi A.L. Gonzales 1998 Chemometr. Intell. Lab. Syst. 41 195
32. T. Kohonen 2001 (Ed.), Self-Organizing Maps Springer-Verlag Berlin, Germany
33. Y. Lin G.J. Cunninghan 1994 J. Intell. Fuzzy Syst. 2 243
34. M. Sugeno T.A. Yasakawa 1993 IEEE T. Fuzzy Syst. 1 7
35. Dubois, D. and Prade, H., In Shafer, G. and Pearl, J. (Eds.), Readings in Uncertain Reasoning. Morgan Kaufmann, San Francisco, CA, 1990, pp. 742-761.
36. M.M. Gupta J. Qi 1991 Fuzzy Set Syst. 40 431
37. M. Pintore N. Piclin E. Benfenati G. Gini J.R. Chrétien 2003 QSAR Comb. Sci. 22 210
38. A. Goldbraikh A. Tropsha 2002 J. Mol. Graph. Model. 20 269