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Classification and identification of molecules through factor analysis method based on terahertz spectroscopy.
- Source :
-
Spectrochimica Acta Part A: Molecular & Biomolecular Spectroscopy . Jun2018, Vol. 198, p198-203. 6p. - Publication Year :
- 2018
-
Abstract
- By means of factor analysis approach, a method of molecule classification is built based on the measured terahertz absorption spectra of the molecules. A data matrix can be obtained by sampling the absorption spectra at different frequency points. The data matrix is then decomposed into the product of two matrices: a weight matrix and a characteristic matrix. By using the K-means clustering to deal with the weight matrix, these molecules can be classified. A group of samples (spirobenzopyran, indole, styrene derivatives and inorganic salts) has been prepared, and measured via a terahertz time-domain spectrometer. These samples are classified with 75% accuracy compared to that directly classified via their molecular formulas. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 13861425
- Volume :
- 198
- Database :
- Academic Search Index
- Journal :
- Spectrochimica Acta Part A: Molecular & Biomolecular Spectroscopy
- Publication Type :
- Academic Journal
- Accession number :
- 129207446
- Full Text :
- https://doi.org/10.1016/j.saa.2018.03.017