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RECORD NUMBER: 30 OF 81

OLS Field Name OLS Field Data
Main Title Contribution to the Interpretation of Mass Spectra with the Aid of Adaptive Linear Classifiers (Beitrag zur Interpretation von Massenspektren mit Hilfe Adaptiver, Linearer Klassifikatoren).
Author Varmuza, K. ; Krenmayr., P. ;
CORP Author Environmental Protection Agency, Research Triangle Park, N.C. Translation Services Section.
Year Published 1974
Report Number EPA-TR-492-74;
Stock Number PB-237 807-T
Additional Subjects Mass spectra ; Spectrum analysis ; Molecular structure ; Pattern recognition ; Linear programming ; Chemical anal sis ; West Germany ; Translations ;
Holdings
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Status
NTIS  PB-237 807-T Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. NTIS 06/23/1988
Collation 24p
Abstract
Molecular structures of organic substances with low molecular weight can be determined with some probability from low resolution mass spectra by linear, binary, adaptive classifiers. 250 mass spectra were used as a training set to compute such classifiers for 31 different molecular structures; other 250 mass spectra were used to test the predictive ability P. The best preprocessing of the spectral data was the logarithmic transformation of the intensities and normalization to the base peak. If the training set contains only some members of a certain class, P is very low for spectra of this class and the trained classifier is not useful. After critical examination only 10 molecular structures remained, which are suitable for this method of automatic mass spectra interpretation.