Comparison of contemporary feature selection algorithms: Application to the classification of ABC-transporter substrates

QSAR and Combinatorial Science

Volumn 28, Issue 10, 2009, Pages 1087-1091

  Demel, Michael A ^a   Janecek, Andreas G K ^a   Gansterer, Wilfried N ^a   Ecker, Gerhard F ^a  

^a UNIVERSITY OF VIENNA   (Austria)

Author keywords

ABC transporter; ADME TOX; Classification; Feature selection; Substrates

Indexed keywords

ABC TRANSPORTER; ATP BINDING CASSETTE TRANSPORTER C1; BREAST CANCER RESISTANCE PROTEIN; MULTIDRUG RESISTANCE PROTEIN 1; UNCLASSIFIED DRUG;

ACCURACY; ARTICLE; CLASSIFICATION ALGORITHM; COMPARATIVE STUDY; COMPUTER PROGRAM; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; PROTEIN SYNTHESIS; VALIDATION STUDY;

EID: 72449149347     PISSN: 1611020X     EISSN: 16110218     Source Type: Journal    
DOI: 10.1002/qsar.200860191     Document Type: Article

References (24)

1. K. Linton, Physiology 2007, 22, 122-130.
2. M. M. Gottesman, T. Fojo, S. E. Bates, Nat. Rev. Cancer 2002, 2, 48-58.
3. G. Szakács, A. Váradi, C. Özvegy-Laczka, B. Sarkadi, Drug Discov. Today 2008, 13, 379-393.
4. G. Ecker, Chemistry Today 2005, 23, 39-42.
5. M. A. Demel, A. G. K. Janecek, K.-M. Thai, G. Ecker, W. N. Gansterer, Curr. Comput.-Aided Drug Design 2008, 4, 91-110.
6. A. G. K. Janecek, W. N. Gansterer, M. A. Demel, G. F. Ecker, JMLR 2008, 4, 90-105.
7. J. F. C. L. Cadima, I. T. Jolliffe, J Appl. Statist. 1995, 22, 203-214.
8. J. F. C. L. Cadima, I. T. Jolliffe, J Agric. Biol. Environ. Statist. 2001, 6, 62-79.
9. G. Szakacs, J. P. Annereau, S. Lababidi, U. Shankavaram, A. Arciello, K. J. Bussey, W. Reinhold, Y. Guo, G. D. Kruh, M. Reimers, J. N. Weinstein, M. M. Gottesman, Cancer Cell 2004, 6, 129-137.
10. Molecular Operating Environment (MOE), Chemical Computing Group, Version 2007.09.
11. G. P. McCabe, Technical Report #86-19, Dept. of Statistics, Purdue University 1986.
12. G. P. McCabe, Technometrics 1984, 26, 137-144.
13. J. F. C. L. Cadima, I. T. Jolliffe, Comput. Stat. Data Anal. 2004, 47, 225-236.
14. I. Witten, E. Frank, Data Mining: Practical Machine Learning Tools and Techniques, Morgan Kaufmann, San Francisco, CA 2005.
15. K. Kira, L. Rendell, in Ninth International Workshop on Machine Learning 1992, 249-256.
16. I. Kononenko, in European Conference on Machine Learning, 1994, 171-182.
17. M. Hall, PhD thesis, Waikato, New Zealand, 1998.
18. R. Kohavi, G. H. John, Artificial Intelligence 1997, 97, 273-324.
19. http://cran.r-project.org/
20. http://www.cs.waikato.ac.nz/~ml/weka/
21. P. De Cerqueira-Lima, A. Golbraikh, S. Oloff, Y. Xiao, A. Tropsha, J. Chem. Inf. Model. 2006, 46, 1245-1254.
22. M. Ankerst, D. Keim, in Proc. IEEE Visualization Conf. 1997.
23. R. Didziapetris, P. Japertas, A. Avdeef, A. Petrauskas, J. Drug Targeting 2003, 391-406.
24. J. Huang, G. Ma, I. Muhammad, Y. Cheng, J. Chem. Inf. Model. 2007, 47, 1638-1647.