Comparison of three different QSAR/QSPR generation techniques

Journal of Molecular Structure: THEOCHEM

Volumn 468, Issue 1-2, 1999, Pages 13-20

  Luke, B T ^a  

^a BT Luke and Associates   (United States)

Author keywords

Evolutionary programming; Genetic algorithms; Property analysis; Quantitative structure

Indexed keywords

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CONTROLLED STUDY; HIGH PERFORMANCE LIQUID CHROMATOGRAPHY; INTERMETHOD COMPARISON; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

EID: 0033538864     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(98)00492-8     Document Type: Article

References (23)

1. Hansch C., Fujita T. J. Am. Chem. Soc. 86:1964;1616.
2. Wiener H. J. Am. Chem. Soc. 69:1947;17.
3. Randic M. J. Am. Chem. Soc. 97:1975;6609.
4. Rohrbaugh R.H., Jurs P.C. Anal. Chim. Acta. 199:1987;99.
5. Cramer R.D., Patterson D.E., Bunce J.D. J. Am. Chem. Soc. 110:1988;5959.
6. Stanton D.T., Jurs P.C. Anal. Chem. 62:1990;2323.
7. Karelson M., Lobanov V.S., Katritsky A.R. Chem. Rev. 96:1996;1027.
8. Breneman C.M., Rhem M. J. Comput. Chem. 18:1997;182.
9. Liang C., Gallagher D.A. J. Chem. Inf. Comput. Sci. 38:1998;321.
10. Liu S., Cao C., Li Z. J. Chem. Inf. Comput. Sci. 38:1998;387.
11. Ivanciuc O., Ivanciuc T., Balaban A.T. J. Chem. Inf. Comput. Sci. 38:1998;395.
12. Turner B.E., Costello C.L., Jurs P.C. J. Chem. Inf. Comput. Sci. 38:1998;639.
13. Lowery A.H., Cramer C.J., Urban J.J., Famini G.R. Comput. Chem. 19:1995;209.
14. ftp://ftp.wiley.com/public/journals/jcc/suppmat/18/182.
15. Luke B.T. J. Chem. Inf. Comput. Sci. 34:1994;1279.
16. http://fconyx.ncifcrf.gov/lukeb/EPFit.html.
17. B.T. Luke, An Overview of Genetic Methods, in PRINCIPLES IN QSAR AND DRUG DESIGN, VOLUME 1: Genetic Algorithms in Molecular Modelling, J. Devillers (ed), Academic Press Ltd, London (1996), Ch. 2 (and references therein; see also http://members.aol.com/btluke/gmovr01.htm.).
18. Kimura T., Hasegawa K., Funatsu K. J. Chem. Inf. Comput. Sci. 38:1998;276.
19. Rogers D., Hopfinger A.J. J. Chem. Inf. Comput. Sci. 34:1994;854.
20. Shi L.M., Fan Y., Meyers T.G., O'Connor P.M., Paull K.D., Friend S.H., Weinstein J.N. J. Chem. Inf. Comput. Sci. 38:1998;189.
21. http://fconyx.ncifcrf.gov/lukeb/qsarsp2.html.
22. http://fconyx.ncifcrf.gov/lukeb/chemsp2.html.
23. Efron B. Ann. Stat. 7:1979;1.