Survey of Computer Aided Methods for Mass Spectral Interpretation
- 1 May 1981
- journal article
- research article
- Published by SAGE Publications in Applied Spectroscopy
- Vol. 35 (3) , 255-266
- https://doi.org/10.1366/0003702814732706
Abstract
Recent studies in the application of computerized techniques to mass spectral interpretation have been reviewed. The techniques have been divided into library search, pattern recognition, and interpretive methods. The more common methods in use in each category, as well as the more recent methods, are discussed. Earlier review articles are referenced for a more comprehensive treatment of earlier methods. The status of the large libraries of electron impact mass spectra is discussed and a number of attempts at improving the quality of those libraries are detailed.Keywords
This publication has 94 references indexed in Scilit:
- Kisik — a combined chemical information system for a minicomputerAnalytica Chimica Acta, 1980
- The nih-epa chemical information system in support of structure elucidation†Analytica Chimica Acta, 1980
- Computerized mass spectrum prediction and rankingAnalytical Chemistry, 1980
- Search strategy and data compression for a retrieval system with binary-coded mass spectraAnalytica Chimica Acta, 1979
- Siscom — a new library search system for mass spectraAnalytica Chimica Acta, 1978
- Computer-aided interpretation of steroid mass spectra by pattern recognition methods: Part III. Computation of Binary Classifiers by Linear RegressionAnalytica Chimica Acta, 1978
- Computer-aided interpretation of steroid mass spectra by pattern recognition methods : Part 2. Influence of mass spectral preprocessing on classification by distance measurement to centres of gravity.Analytica Chimica Acta, 1977
- Factor analysis of the mass spectra of mixturesAnalytical Chemistry, 1976
- Interpretation niedrig aufgelöster Massenspektren durch Klassifikation mit Hilfe der Nachbarspektren aus einer BibliothekAnalytical and Bioanalytical Chemistry, 1974
- Pattern recognition. II. Linear and nonlinear methods for displaying chemical dataJournal of the American Chemical Society, 1973