C. Steinbeck and S. Kuhn, NMRShiftDB - compound identification and structure
elucidation support through a free community-built web database http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?cmd=Retrieve&db=PubMed&li"htt
p://www.ncbi.nlm.nih.gov/entrez/query.fcgi?cmd=Retrieve&db=PubMed&li
st_uids=15464159&dopt=Abstract> , Phytochemistry, October 2004. Only this
abstract is free online, at least so far http://www.earlham.edu/~peters/fos/oaoai.htm"http://www.earlham.edu/~peters
/fos/oaoai.htm> : "Compound identification and support for computer-assisted
structure elucidation via a free community-built web database for organic
structures and their NMR data is described. The new database NMRShiftDB
http://www.nmrshiftdb.org/"http://www.nmrshiftdb.org/> is
available on [HYPERLINK
"http://www.nmrshiftdb.org/"http://www.nmrshiftdb.org/]. As the first NMR
database, NMRShiftDB allows not only open access to the database but also
open and peer reviewed submission of datasets, enabling the natural products
community to build its first free repository of assigned (1)H and (13)C NMR
spectra. In addition to the open access, the underlying database software is
built solely from free software and is available under an open source
license. This allows collaborating laboratories to fully replicate the
database and to create a highly available network of NMRShiftDB mirrors. The
database contains about 10,000 structures and assigned spectra, with new
datasets constantly added. Its functionality includes (sub-) spectra and
(sub-) structure searches as well as shift prediction of (13)C spectra based
on the current database material."
--
Dr. S. Krishnan
Head, Information Division
National Chemical Lab, PUNE 411008, INDIA
e-mail: HYPERLINK "mailto:krish@ems.ncl.res.in"krish@ems.ncl.res.in
HYPERLINK "http://www.ncl-india.org"http://www.ncl-india.org
Tel: 020-25893457; Fax: 020-25893973
---
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Checked by AVG anti-virus system (http://www.grisoft.com).
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C. Steinbeck and S. Kuhn, NMRShiftDB - compound identification and structure elucidation support through a free community-built web database < http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?cmd=Retrieve&db=PubMed&li http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?cmd=Retrieve&db=PubMed&li
st_uids=15464159&dopt=Abstract> , Phytochemistry, October 2004. Only this abstract is free online, at least so far < http://www.earlham.edu/~peters/fos/oaoai.htm http://www.earlham.edu/~peters/fos/oaoai.htm
: "Compound identification and support for computer-assisted structure elucidation via a free community-built web database for organic structures and their NMR data is described. The new database NMRShiftDB < http://www.nmrshiftdb.org/ http://www.nmrshiftdb.org/
is available on [ http://www.nmrshiftdb.org/ http://www.nmrshiftdb.org/
]. As the first NMR database, NMRShiftDB allows not only open access to the database but also open and peer reviewed submission of datasets, enabling the natural products community to build its first free repository of assigned (1)H and (13)C NMR spectra. In addition to the open access, the underlying database software is built solely from free software and is available under an open source license. This allows collaborating laboratories to fully replicate the database and to create a highly available network of NMRShiftDB mirrors. The database contains about 10,000 structures and assigned spectra, with new datasets constantly added. Its functionality includes (sub-) spectra and (sub-) structure searches as well as shift prediction of (13)C spectra based on the current database material."
--
Dr. S. Krishnan
Head, Information Division
National Chemical Lab, PUNE 411008,
INDIA
e-mail: mailto:krish@ems.ncl.res.in krish@ems.ncl.res.in
http://www.ncl-india.org http://www.ncl-india.org
Tel: 020-25893457; Fax: 020-25893973
Outgoing mail is certified Virus Free.
Checked by AVG anti-virus system (http://www.grisoft.com).
Version: 6.0.773 / Virus Database: 520 - Release Date: 10/5/2004
