Abstract
The spectroscopic information systems SpecInfo and MASS-LIB are used together with the software package EDAS to develop classifiers for mass spectra. The method is based on the generation of spectral features and a linear discriminant mapping method that separates the spectra of two disjunct classes of compounds. Spectral classifiers are applied to experimental data from gc/ms analyses on a personal computer using the software package CDDS.
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© 1991 Springer-Verlag Berlin Heidelberg
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Werther, W., Lohninger, H., Varmuza, K. (1991). Development of Chemometric Detectors for Gas Chromatography/Mass Spectrometry by the Use of a Linear Mapping Method. In: Gmehling, J. (eds) Software Development in Chemistry 5. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-76325-0_13
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DOI: https://doi.org/10.1007/978-3-642-76325-0_13
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-540-53532-4
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