The use of structure generators in predictive pharmacology and toxicology

Arzneimittel-Forschung/Drug Research

Volumn 46, Issue 2, 1996, Pages 223-227

  Wieland, Thomas ^a  

^a UNIVERSITY OF BAYREUTH   (Germany)

Author keywords

pharmacology, predictive; structure generator; structure activity relationships; toxicology, predictive

Indexed keywords

BARBITURIC ACID DERIVATIVE; KETONE;

ARTICLE; AUTOMATION; DRUG STRUCTURE; LD 50; PHYSICAL CHEMISTRY; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SLEEP;

BARBITURATES; DRUG DESIGN; KETONES; LETHAL DOSE 50; PHARMACOLOGY; SOFTWARE; STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS; TOXICOLOGY;

EID: 0029877872     PISSN: 00044172     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (33)

1. Stuper, A. J., Brugger, W. E., Jurs, P. C., Computer-Assisted Studies of Chemical Structure and Biological Function, John Wiley & Sons, New York (1979)
2. Richards, W. G., Quantum Pharmacology, 2nd ed., Butterworth, London (1983)
3. Kier, L. B., Hall, L. H., Molecular Connectivity in Structure-Activity Analysis, Research Studies Press, Chichester (1986)
4. Basak, S. C., Med. Sci. Res. 15, 605 (1987)
5. Auer, C. M., Nabholz, J. V., Baetcke, K. P., Environ. Health Persp. 87, 183 (1990)
6. Debnath, A. K., Debnath, G., Shusterman, A. J., Hansch, C., Environ. Mol. Mutagen. 19, 37 (1992)
7. Basak, S. C., Bertelsen, S., Grunwald, G. D., J. Chem. Inf. Comput. Sci. 34, 270 (1994)
8. Bonchev, D., Information Theoretic Indices for Characterization of Chemical Structures, Research Studies Press, Chichester (1983)
9. Randić, M., J. Chem. Inf. Comput. Sci. 24, 164 (1984)
10. Rouvray, D. H., Sci. Am. 255, 40 (1986)
11. Basak, S. C., Magnuson, V. R., Arzneim.-Forsch./ Drug Res. 33 (I), 501 (1983)
12. Ray, S. K., Basak, S. C., Raychaudhury, C., Roy, A. B., Ghosh, J. J., Arzneim.-Forsch./ Drug Res. 33, 352 (1983)
13. Roy, A. B., Basak, S. C., Harriss, D. K., Magnuson, V. R., in: X. J. R. Avula, R. E. Kalman, A. I. Liapis, E. Y. Rodin (eds.), pp. 745-750, Mathematical Modelling in Science and Technology, Pergamon Press, New York (1983)
14. Masinter, L. M., Sridharan, N. S., Lederberg, J., Smith, D. H., J. Am. Chem. Soc. 96, 7702 (1974)
15. Carhart, R. E., Smith, D. H., Brown, H., Djerassi, C., J. Am. Chem. Soc. 91, 5755 (1975)
16. Carhart, R. E., Smith, D. H., Gray, N. A., Nourse, J. G., Djerassi, C., J. Org. Chem. 46, 1708 (1981)
17. Funatsu, K., Miyabayaski, N., Sasaki, S., J. Chem. Inf. Comput. Sci. 28, 18 (1988)
18. Kerber, A. (ed.), MATCH 27 (1992)
19. Grund, R., Kerber, A., Laue, R., MATCH 27, 87 (1992)
20. Grund, R., Bayreuther Mathem. Schr. 49, 1 (1995)
21. Benecke, C., Grund, R., Kerber, A., Laue, R., Wieland, T., J. Chem. Edu. 72, 403 (1995)
22. Benecke, C., Grund, R., Hohberger, R., Kerber, A., Laue, R., Wieland, T., Anal. Chim. Act. 314, 141 (1995)
23. Benecke, C., Grund, R., Hohberger, R., Kerber, A., Laue, R., Wieland, T., in: C. Cohen, M. Giusti, T. Mora (eds.), Applied Algebra, Algebraic Algorithms and Error-Correcting Codes, Lect. Not. Comput. Sci., Springer Verlag, New York (1995)
24. Wieland, T., Kerber, A., Laue, R., J. Chem. Inf. Comput. Sci. 36 (1996) (in press)
25. Grüner, T., Laue, R., Meringer, M., Algorithms for Group Actions: Homomorphism Principle and Orderly Generation Applied to graphs, Paper presented at DIMACS Workshop on Groups and Computation II, Rutgers University, Piscataway (1995)
26. Shannon, C. F., Bell Systems Tech. J. 27, 379 (1948)
27. Brillouin, L., Science and Information Theory, Academic Press, New York (1956)
28. Basak, S. C., Frane, C. M., Rosen, M. E., Magnuson, V. R., Med. Sci. Res. 15, 887 (1987)
29. Basak, S. C., Magnuson, V. R., Niemi, G. J., Regal, R. R., Discr. Appl. Math. 19, 17 (1988)
30. Goodman, A., Gilman, L., in: The Pharmacological Basis of Therapeutics, Macmillan Comp., New York (1965)
31. Hansch, C., Steward, A. R., Anderson, S. M., Bentley, D., J. Med. Chem. 11, 1 (1968)
32. Tanii, H., Tsuji, H., Hashimoto, K., Toxicol. Lett. 30, 13 (1986)
33. Wieland, T., MATCH 31, 153 (1994)