A neural network approach to infrared spectrum interpretation

Autor:	Ernest W. Robb, Morton E. Munk
Rok vydání:	1990
Předmět:	Structure (mathematical logic) Artificial neural network business.industry Infrared Computer science Infrared spectroscopy Pattern recognition Ranging Analytical Chemistry Interpretation (model theory) Pattern recognition (psychology) Artificial intelligence Spurious relationship business
Zdroj:	Mikrochimica Acta. 100:131-155
ISSN:	1436-5073 0026-3672
DOI:	10.1007/bf01244838
Popis:	The simple linear neural network model was investigated as a method for automated interpretation of infrared spectra. The model was trained using a database of infrared spectra of organic compounds of known structure. The model was able to learn, without any prior input of spectrum-structure correlations, to recognize and identify 76 functional groupings with accuracies ranging from fair to excellent. The effect of network input parameters and of training set composition were studied, and several sources of spurious correlations were identified and corrected.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::39244093784f81d5b07f4fb99c5ff1ce https://doi.org/10.1007/bf01244838 Zobrazit plný text záznamu Full text from SpringerLink