Home
Current usage is:
Registered Users: 1575
Structures: 43577
Spectra: Measured 52560, calculated 549
Username:
Password:
Use cookies for persistant login
ImpressumProblems using nmrshiftdb2? See our tips on browsers to use !

  Home     Search     Results     Quick Check     Predict     Assignment     Submit     Review     Help  

nmrshiftdb2 Links

Developers' page
Media coverage
Links
FAQ
Guestbook
Contact


nmrshiftdb2 collaborates with

Thomson Reuters Data Citation Index ChEBI UniChem

PubChem

RIsources

cheminfo.org cheminfo.org

idnmr.uni-koeln.de nmredata.org

fairsharing.org

About nmrshiftdb2

nmrshiftdb2 is a NMR database (web database) for organic structures and their nuclear magnetic resonance (nmr) spectra. It allows for spectrum prediction (13C, 1H and other nuclei) as well as for searching spectra, structures and other properties. Last not least, it features peer-reviewed submission of datasets by its users. The nmrshiftdb2 software is open source, the data is published under an open content license. Please consult the documentation for more detailed information. nmrshiftdb2 is the continuation of the NMRShiftDB project with additional data and bugfixes and changes in the software.

Problem of the Month - June 2020

Which molecule is this? See our Problem of the Month presentation to find out.            Quick Check
Go to the Quick Check page

  Check your assignment here
View Problem of the Month archive

News about nmrshiftdb2

New release   2013-09-08 12:43 - nmrshiftdb2
A new nmrshiftdb2 is live on the servers. Main change is a rework of the submit process, with a hopefully much improved usability. See here for details.

Software update   2012-11-26 12:43 - nmrshiftdb2
A new release of the software has been deployed to the servers. Apart from some bugfixes, the most important change is the improved handling of stereochemistry in predictions. See here for details.

nmrshiftdb2 collaborates with ThomsonReuters   2012-06-25 12:43 - nmrshiftdb2
ThomsonReuters announced a new database resource at the American Library Association Conference, which links literature references with original data. It will be called Data Citation Index and will be part of Web of Knowledge. We are proud that nmrshiftdb2 will be part of this initiative alongside major data providers. We believe this is an important step to bring more visibility to our data, their suppliers and their papers. You can find the ThomsonReuters press release at here

New cooperations   2012-06-24 13:56 - nmrshiftdb2
We are proud to announce more usage of nmrshiftdb2 data and software. Firstly, Jean-Marc Nuzillard from Universite de Reims Champagne-Ardenne has integrated the nmrshiftdb2 prediction mechanism into his LSD (here) and CASA (here) software. LSD is a structure elucidation software and CASA verifies a suggested structure, both using 1D and 2D nmr data. We are proud to help with this. Secondly, Chemaxon, a commercial software vendor known for its Marvin tools, has built a NMR prediction based on nmrshiftdb2 data, using their own algorithm (here). It's good to see the open data principle at work with more implementations using the data being done.

New functions   2012-06-16 08:11 - nmrshiftdb2
We did a software update, which brings some new features. They include an automatic assignment (to be found on the "Assignment" tab) and the possibility to submit spectra as "private" for later publishing - interesting during writing of papers and other publications.

Software update   2011-12-31 12:51 - nmrshiftdb2
Today nmrshiftdb2 was updated to a new release. It includes bugfixes and some new features. For an overview, see the changelog at here Apologies to all who experienced downtimes during the update!

Lost structures?   2011-12-20 14:48 - nmrshiftdb2
In case somebody is watching the statistics closely, she/he might have noticed that the number of structures has gone down by around 70. This is not a loss of data, we are actually merging entries where duplicate structures crept in over time. So we are not actually losing data.

Site news archive »


rss feed

Latest Additions



Show random entry


rss feed[Valid RSS]


nmrshiftdb2 (V. 1.4.14, nmrshiftdb.nmr.uni-koeln.de, currently 129 users, 2435063 since 2010-12-14 23:09:00.0) © NMRShiftDB project 2002-2010, © Stefan Kuhn 2010 - 2019.