The CSEARCH-NMR data base approach to solve frequent questions concerning substituent effects on 13C NMR chemical shifts
- 1 June 1993
- journal article
- Published by Elsevier in Chemometrics and Intelligent Laboratory Systems
- Vol. 19 (2) , 217-223
- https://doi.org/10.1016/0169-7439(93)80105-q
Abstract
No abstract availableKeywords
This publication has 6 references indexed in Scilit:
- Optimized prediction of 13C NMR spectra using incrementsAnalytica Chimica Acta, 1993
- MCSS: a new algorithm for perception of maximal common substructures and its application to NMR spectral studies. 2. ApplicationsJournal of Chemical Information and Computer Sciences, 1992
- MCSS: a new algorithm for perception of maximal common substructures and its application to NMR spectral studies. 1. The algorithmJournal of Chemical Information and Computer Sciences, 1992
- Optimized prediction of 13C-NMR spectra using increments. Comparison with other methodsAnalytical and Bioanalytical Chemistry, 1992
- Parameter set for the prediction of the 13C-NMR chemical shifts of sp2- and sp-hybridized carbon atoms in organic compoundsAnalytica Chimica Acta, 1991
- CSEARCH: a computer program for identification of organic compounds and fully automated assignment of carbon-13 nuclear magnetic resonance spectraJournal of Chemical Information and Computer Sciences, 1985