AUTOMATIC INTERPRETATION OF INFRARED-SPECTRA

Authors
AFFOLTER C BAUMANN K CLERC JT SCHRIBER H PRETSCH E
Citation
C. Affolter et al., AUTOMATIC INTERPRETATION OF INFRARED-SPECTRA, Mikrochimica acta, 1997, pp. 143-147
Citations number
14
Categorie Soggetti
Chemistry Analytical
Journal title
Mikrochimica acta → ACNP
ISSN journal
00263672
Year of publication
1997
Supplement
14
Pages
143 - 147
Database
ISI
SICI code
0026-3672(1997):<143:AIOI>2.0.ZU;2-0
Abstract
Normal frequency ranges tabulated for large fragments of organic molec ules have been tested against IR spectra collected in a spectroscopic database. The results show that the correlation tables cannot be relia bly used for automatic spectra interpretation. On the other hand, vibr ational spectra of an organic compound can be predicted on the basis o f a spectroscopic database by making a structure similarity search.