Quantitative structure-activity relationship modeling of mosquito repellents using calculated descriptors

Croatica Chemica Acta

Volumn 81, Issue 2, 2008, Pages 333-340

  Natarajan, Ramanathan ^a   Basak, Subhash C ^a   Mills, Denise ^a   Kraker, Jessica J ^b   Hawkins, Douglas M ^b  

^a UNIVERSITY OF MINNESOTA DULUTH   (United States)

^b UNIVERSITY OF MINNESOTA   (United States)

Author keywords

DEET; Mosquito repellents; QSAR; Topological indices

Indexed keywords

EID: 55249097959     PISSN: 00111643     EISSN: 1334417X     Source Type: Journal    
DOI: None     Document Type: Conference Paper

References (30)

1. E. T. McCabe, W. F. Barthel, S. I. Gertler, and S. A. Hall, J. Org. Chem. 19 (1954) 493-498.
2. T. P. McGovern, C. E. Schreck, and J. Jackson, Mosq. News 38 (1978) 346-349.
3. T. P. McGovern, H. K. Gouck, G. S. Burden, R. Sarmiento, M. Beroza, and C. H. Schmidt, J. Eco. Entomol. 67 (1974) 71-73.
4. S. C. Basak, R. Natarajan, and D. Mills, WSAES Trans. Inf. Sci. Appl. 2 (2005) 958-963.
5. M. V. S. Suryanarayana, K. S. Pandey, Shri Prakash, C. D. Raghuveeran, R. S. Dangi, R. V. Swamy, and K. M. Rao, J. Pharm. Sci. 80 (1991) 1055-1057.
6. A. K. Bhattacharjee, R. K. Gupta, D. Ma, and J. M. Karle, J. Mol. Recog. 13 (2000) 213-220.
7. R. Natarajan, S. C. Basak, A. T. Balaban, J. A. Klun, and W. F. Schmidt, Pest Manag. Sci. 61 (2005) 1193-1201.
8. D. Ma, A. K. Bhattacharjee, R. K. Gupta, and J. M. Karle, Am. J. Trop. Med. Hyg. 60 (1999) 1-6.
9. A. R. Katritzky, D. A. Dobchev, I. Tulp, M. Karelson, and D. A. Carlson, Bioorg. Med. Chem. Lett. 16 (2006) 2306-2311.
10. Codessa Pro Software, University of Florida, 2002.
11. A. J. Miller, Subset Selection in Regression, Chapman and Hall, London, UK, 1990.
12. A. Rencher and F. Punn, Technometrics 22 (1980) 49-53.
13. S. C. Basak, R. Natarajan, D. Mills, D. M. Hawkins, and J. J. Kraker, J Chem. Inf. Model. 46 (2006) 65-77.
14. J. J. Kraker, D. M. Hawkins, S. C. Basak, R. Natarajan, and D. Mills, Chemom. Intell. Lab. Syst. 87 (2007) 33-42.
15. Am. Chem. Soc. SciFinder Scholar, 2006.
16. S. C. Basak, B. D. Gute, and G. D. Grunwald, J. Chem. Inf. Comput. Sci. 37 (1997) 651-655.
17. S. C. Basak, B. D. Gute, and G. D. Grunwald, A Hierarchical Approach to the Development of QSAR Models Using Topological, Geometrical, and Quantum Chemical Parameters, in: J. Devillers and A. T. Balaban (Eds.) Topological Indices and Related Descriptors in QSAR and QSPR, Gordon and Breach Science Publishers, The Netherlands, 1999, pp. 675-696.
18. S. C. Basak, D. R. Mills, A. T. Balaban, and B. D. Gute, J. Chem. Inf. Comput. Sci. 41 (2001) 671-678.
19. B. D. Gute, G. D. Grunwald, and S. C. Basak, SAR QSAR Environ. Res. 10 (1999) 1-15.
20. S. C. Basak, D. Mills, B. D. Gute, and R. Natarajan, Predicting Pharmacological and Toxicological Activity of Heterocyclic Compounds Using QSAR and Molecular Modelin, in: S. P. Gupta (Ed.), QSAR and Molecular Modeling Studies in Heterocyclic Drugs, Springer, Berlin, 2006. Vol. 3, 39-80.
21. S. C. Basak, D. K. Harriss, and V. R. Magnuson, POLLY ver 2.3, 1988, Copyright of the University of Minnesota.
22. P. A. Filip, T.-S. Balaban, and A. T. Balaban, J. Math. Chem. 1 (1987) 61-83.
23. Molconn-Z Version 3.5, Hall Associates Consulting, Quincy, MA, 2000.
24. CambridgeSoft, Chem3D Ultra 8.0, Cambridge, MA, USA, 2003,
25. SAS Institute, Inc., SAS/STAT User's Guide, Release 6.03 Edition, Cary, NC, USA,1988.
26. D. M. Hawkins, LinMods, University of Minnesota, Minneapolis, MN, USA, 2004.
27. D. M. Hawkins, J. J. Kraker, S. C. Basak, and D. Mills, QSAR Checking and Validation (Presented in QSAR 2006, Lyon, France), 2006.
28. R. A. Thisted, Elements of Statistical Computing, Chapman and Hall, New York, 1988.
29. R. Gentleman and R. Ihaka, R ver. 2.0.1 (1996).
30. K. Krajick, Science 313 (2006) 36-38.