In the last few years the empirical interpretation of a spectrum and the quality of information gained from it can be sufficient for the demands of contemporary chemistry. The overall progress in computerization of chemistry and particularly the development of a new scientific discipline-chemical informatics [1]-allows one to apply a new approach of spectra explanation known as computer retrieval of spectral data. Here the usual meaning of “retrieval” is extended to the disclosure of abstract information hidden in various spectral curves.
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Hippe et al. (1980) studied this question.
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