Applications of computerized pattern recognition: a survey of correlations between pharmacological activities and mass spectra.
Correlations between mass spectra and pharmacological activities were surveyed by means of computerized learning machine and cluster analysis. The principal component analysis and the nonlinear mapping techniques were used for the feature selection of the data set.
D003201:Computers; D013058:Mass Spectrometry; D010276:Parasympatholytics / Q000494:pharmacology; D010363:Pattern Recognition, Automated; D013329:Structure-Activity Relationship
D010276:Parasympatholytics