Molecular Transforms: A Potential Tool for Structure-Activity Studies

Journal of the American Chemical Society

Volumn 99, Issue 2, 1977, Pages 439-443

  Soltzberg, Leonard J ^a   Wilkins, Charles L ^a  

^a UNIVERSITY OF NEBRASKA LINCOLN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001231386     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja00444a021     Document Type: Article

References (19)

1. A preliminary account of this work has appeared; L. J. Soltzberg and C. L. Wilkins, J. Am. Chem. Soc., 98, 4006 (1976).
2. L. J. Soltzberg is a Visiting Associate Professor during the 1975-1976 academic year from Simmons College, Boston
3. See, for example: A. Albert, “The Selectivity of Drugs”, Chapman and Hall, London, 1975.
4. See, for example, P. C. Jurs and T. L. Isenhour, “Chemical Applications of Pattern Recognition”, Wiley, New York, N.Y., 1975.
5. W. P. Purcell, G. E. Bass, and J. M. Clayton, “Strategy of Drug Design: A Guide to Biological Activity”, Wiley, New York, N.Y., 1973, pp 21-37.
6. B. R. Kowalski and C. F. Bender, J. Am. Chem. Soc., 96, 916 (1974).
7. A. J. Stuper and P. C. Jurs, J. Am. Chem. Soc., 97, 182 (1975).
8. W. E. Brugger, A. J. Stuper, and P. C. Jurs, J. Chem. Inf. Comput. Sci., 16, 105 (1976).
9. K. H. Ting, R. C. T. Lee, G. W. A. Milne, M. Shapiro, and A. M. Guarino, Science, 180, 417 (1973).
10. H. Lipson and C. A. Taylor, “Fourier Transforms and X-Ray Diffraction”, G. Bell and Sons, London, 1958, p 9.
11. R. Wierl, Ann. Phys. (Leipzig), 8, 521 (1931).
12. J. T. Clerc, P. Naegli, and J. SeibI, Chimia, 27, 639 (1973).
13. For a general discussion of this problem, see R. O. Duda and P. E. Hart, “Pattern Classification and Scene Analysis”, Wiley, New York, N.Y., 1973, pp 69-70.
14. J. E. Nordlander, Quantum Chemistry Program Exchange, Program Number 250. This program computes Cartesian coordinates for the atoms in a molecule from values of the bond lengths and a minimum set of bond angles and dihedral angles.
15. P. J. Wheatley, Phys. Methods Heterocycl. Chem., 5, 1 (1972), and references cited therein.
16. T. R. Brunner, C. L. Wilkins, T. F.-Lam, L. J. Soltzberg, and S. L. Kaberline, Anal. Chem., 48, 1146 (1976).
17. E. Usdin and D. H. Efron, “Psychotropic Drugs and Related Compounds”, 2nd ed, DHEW Publication No. (HSM) 72-9074, 1972.
18. C. L. Perrin, Science, 183, 551 (1974).
19. R. J. Mathews, J. Am. Chem. Soc., 97, 935 (1975).