COMPUTER-BASED STRUCTURE DETERMINATION - THEN AND NOW

Authors
MUNK ME
Citation
Me. Munk, COMPUTER-BASED STRUCTURE DETERMINATION - THEN AND NOW, Journal of chemical information and computer sciences, 38(6), 1998, pp. 997-1009
Citations number
80
Categorie Soggetti
Computer Science Interdisciplinary Applications","Computer Science Information Systems","Computer Science Interdisciplinary Applications",Chemistry,"Computer Science Information Systems
Journal title
Journal of chemical information and computer sciences → ACNP
ISSN journal
00952338
Volume
38
Issue
6
Year of publication
1998
Pages
997 - 1009
Database
ISI
SICI code
0095-2338(1998)38:6<997:CSD-TA>2.0.ZU;2-J
Abstract
A widely practiced approach to structure elucidation is based on the c hemical and/or the spectral properties of the compound of unknown stru cture. As the power and sophistication of spectrometers improved, spec tral data assumed a more central role. With increasing amounts of such data to process, it was natural to look to the computer to enhance pr oductivity. This paper traces the development of computer-based tools for structure elucidation.