Chemical structure-biological activity relations using pattern recognition

Studies of Chemical Structure-Biological Activity Relations Using Pattern Recognition... 

Jurs, P. C., Chou, J. T. and Yuan, M. (1979). Studies of chemical structure-biological activity relations using pattern recognition. In Computer-Assisted Drug Design. 

Applications of pattern recognition methodology to chemical problems were first reported in the 1960 s (20,21) with studies of mass spectra. Since then papers have described work in a variety of areas (22,23) including mass spectrometry, infrared spectroscopy, NMR spectroscopy, electrochemistry, materials science and mixture analysis, and the modeling of chemical experiments. Diagnosis of pathological conditions from sets of measurements made on complex biological mixtures, e.g., serum, have been reported (24). The successes in these areas have led to the belief that these methods should prove useful in the development of structure-activity relations. 

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