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Date: Thu, 06 Nov 2003 16:18:19 +0100
From: Christoph Steinbeck <c.steinbeck.-at-.uni-koeln.de>
Reply-To: c.steinbeck.-at-.uni-koeln.de
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To: "CCL computational chemistry list (E-mail)" <chemistry.-at-.ccl.net>
Subject: NMRShiftDB: An Open Access, Open Submission NMR database
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We are pleased to announce the release of version 1.0 of our open
access, open submission, open source NMR database NMRShiftDB.
The database lives on http://www.nmrshiftdb.org and can be accessed via
a web interface.
The software and database content can be downloaded via
http://www.sourceforge.net/projects/nmrshiftdb.

NMRShiftDB allows for searching for (sub-)spectra, (sub-)structures and
other properties (chemical names, measurement conditions, keywords), and
last not least 13C spectrum prediction based on the database content.
Currently, the database contains about 5300 structures and about 6000
assigned spectra.

We very much welcome contributions of datasets or any other type of
collaboration. Please note that due to our open content model, there is
no danger of seeing your datasets vanish behind any virtual or real
walls. The current and future content of NMRShiftDB is and will always
be downloadable via the above URL together with the software to make
them searchable. Thus, anyone is capable (and cordially invited) to
create his or her own NMRShiftDB mirror.
Feel free to contact the author of this mail, if you are interested.
A technical paper on the database has just appeared in J. Chem. Inf.
Comput. Sci, ASAP section, http://dx.doi.org/10.1021/ci0341363

Cheers,

Christoph Steinbeck
-- 
Dr. Christoph Steinbeck (e-mail: c.steinbeck.-at-.uni-koeln.de)
Groupleader Junior Research Group for Applied Bioinformatics
Cologne University BioInformatics Center (http://www.cubic.uni-koeln.de)
Z|lpicher Str. 47, 50674 Cologne
Tel: +49(0)221-470-7426   Fax: +49 (0) 221-470-7786

What is man but that lofty spirit - that sense of enterprise.
... Kirk, "I, Mudd," stardate 4513.3..