NMRShiftDB
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Description: NMRShiftDB is a NMR database (web database) for organic structures and their nuclear magnetic resonance (nmr) spectra.
Hosting organization: European Bioinformatics Institute (EBI)
Homepage: http://www.nmrshiftdb.org/
Reference: PubMed
NMRShiftDB is a NMR database (web database) for organic structures and their nuclear magnetic resonance (nmr) spectra.
Contents |
[edit] Database Description
NMRShiftDB allows for spectrum prediction (13C, 1H and other nuclei) as well as for searching spectra, structures and other properties. There are more than 20,000 structures with more than 25,000 spectra. Last not least, it features peer-reviewed submission of datasets by its users. The NMRShiftDB software is open source, the data is published under an open content license.
[edit] Authors
The database has been authored by its contributors, which can be found on the webpage. Main author of the software is Stefan Kuhn.
[edit] Contact Email
[edit] External Links
[edit] Publications
- Steinbeck C., Kuhn S. (2004) NMRShiftDB -- compound identification and structure elucidation support through a free community-build web database. Phytochemistry 65: 2711-2717. PubMed
- Steinbeck C., Krause S., Kuhn S. (2003) NMRShiftDB - Constructing a free chemical information system with open-source components. Journal of Chemical Information and Computer Sciences 43: 1733-173. PubMed
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