Automated interpretation of Fourier transform Raman spectra of complex polymers using an expert system
- 1 January 1994
- journal article
- Published by Wiley in Journal of Raman Spectroscopy
- Vol. 25 (1) , 115-122
- https://doi.org/10.1002/jrs.1250250117
Abstract
The feasibility of applying an expert system for the interpretation of Raman spectra of complex acrylic and styrenated acrylic copolymers was demonstrated. The rules for the interpretation were generated automatically within the expert system from peak tables of the relevant homopolymer spectra. Application of these rules to copolymers gave excellent interpretation results without giving false negatives or false positives. Although the sensitivity limit for detection was not determined for the structural fragments characterized, components in copolymers were identified with very high probabilities down to theca. 15% (w/w) level, indicating that the lower limit is much less than this.Keywords
This publication has 18 references indexed in Scilit:
- Practical implementation of neural networks for the interpretation of infrared spectraVibrational Spectroscopy, 1993
- Neural network approach to structural feature recognition from infrared spectraJournal of Chemical Information and Computer Sciences, 1993
- Rapid functional group characterization of gas chromatography/Fourier transform infrared spectra by a principal components analysis based expert systemAnalytical Chemistry, 1992
- Expert system based on principal components analysis for the identification of molecular structures from vapor-phase infrared spectra. 2. Identification of carbonyl-containing functionalitiesAnalytical Chemistry, 1992
- Expert system based on principal component analysis for the identification of molecular structures from vapor-phase infrared spectra. 1. Theory. Identification of alcoholsAnalytical Chemistry, 1991
- ESSESA: an expert system for elucidation of structures from spectra. 1. Knowledge base of infrared spectra and analysis and interpretation programsJournal of Chemical Information and Computer Sciences, 1990
- A neural network approach to infrared spectrum interpretationMicrochimica Acta, 1990
- Developing Knowledge-Based SystemsPublished by American Chemical Society (ACS) ,1989
- Dynamic, computer-assisted interpretation of infrared spectra of condensed-phase mixturesAnalytica Chimica Acta, 1989
- Artificial intelligence used for the interpretation of combined spectral data. 3. Automated generation of interpretation rules for infrared spectral dataJournal of Chemical Information and Computer Sciences, 1987