Chemical Applications of Pattern Recognition |
Contents
Introduction | 1 |
Introduction to Binary Pattern Classifiers | 9 |
Preprocessing and Transformations | 17 |
Copyright | |
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Common terms and phrases
algorithm Anal average B. R. Kowalski binary classifiers binary pattern classifiers calculated carbon atoms carbon number carboxylic acids CH3 CH3 Chem column compounds correlations cross terms data set decision surface developed dimensionality discriminant function dot product double bonds entire data set equation example factor feature extraction feature selection routine Fourier transform fragments functional group hydrocarbon infrared intensity cutoff largest learning machine least-squares linear low-resolution mass spectra m/e positions mass position mass spectrometry matrix method Methyl molecular structure molecules multicategory multiple features negative nitrogen Nitrogen Presence normalized number of descriptors number of features number of feedbacks oxygen presence P. C. Jurs parameters pattern recognition pattern space pattern vectors peak percent prediction prediction set predictive ability preprocessing problem procedure randomly ring shows the results similarity matrix spectrum subroutine subset T. L. Isenhour Table threshold tion TLUs total ion current training and prediction training set values weight vector components