Abstract
The new generation of the CASE system described in this paper offers a promising approach to both spectrum interpretation and structure generation that allows for a natural linkage between them. The approach takes full advantage of the information contained in available spectral libraries, yet is not limited by the substructural deficiencies of these data bases.
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M. E. Munk, C. A. Shelley, H. B. Woodruff, M. O. Trulson,Fresenius' Z. Anal. Chem. 1982,313, 473.
M. E. Munk, R. J. Lind, M. E. Clay,Anal. Chim. Acta 1986,184, 1.
M. O. Trulson, M. E. Munk,Anal. Chem. 1983,55, 2137.
J. Zupan, M. E. Munk,Anal. Chem. 1986,58, 3219.
C. A. Shelley, M. E. Munk,Anal. Chem. 1982,54, 516.
A. C. Pinto, M. L. A. Goncalves, R. B. Filho, A. Neszmelyi, G. Lukacs,J. Chem. Soc. Chem. Commun. 1982, 293.
R. E. Carhart, D. H. Smith, N. A. B. Gray, J. G. Nourse, C. Djerassi,J. Org. Chem. 1981,46, 1708.
C. A. Shelley, T. R. Hays, M. E. Munk,Anal. Chim. Acta, Computer Techniques Optimization 1978,103, 121.
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Munk, M.E., Farkas, M., Lipkis, A.H. et al. Computer-assisted chemical structure analysis. Mikrochim Acta 89, 199–215 (1986). https://doi.org/10.1007/BF01207317
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DOI: https://doi.org/10.1007/BF01207317