Unfortunately we are no longer able to license the CRYSTMET database for access through the NCDS. Therefore the database will no longer be accessible from 1st July 2018.
CRYSTMET was previously included in the NCDS as part of CrystalWorks. The other databases accessible via CrystalWorks (Cambridge Structural Database, Inorganic Crystal Structure Database and Crystallography Open Database) are unaffected.
The 2018 Cambridge Structural Database (CSD) update is now available through the remote desktop. This release adds more than 60,000 new entries to the database (passing the milestone of 900,000 total entries) and updates CSD software to the latest versions.
Visit the CCDC site for more information on the release.
The CSD remote desktop offer users of the Chemical Database Service the ability to log in remotely from any computer and use the majority of the software and features found in a local CSD installation. For more information, visit http://cds.rsc.org/about.asp and choose Cambridge Structural Database (CSD).
Our data deposition service is now live, representing part of our commitment in hosting the EPSRC National Chemical Database Service. Details are given below – we will add to this post to build up an FAQ. You can watch a demonstration video on YouTube.
What it is
The data deposition service allows researchers to upload research data in the form of chemical structures and associated experimental spectra, link them to relevant publications, and receive DOIs for these depositions to cite them elsewhere. While the community’s preferred use cases are yet to be determined, the initial focus is on raw spectral data to provide greater value to researchers and readers than traditional electronic supplementary information files.
How to access it and what it does
It’s available through the ChemSpider link on the NCDS site, which now gives the option to either search ChemSpider or deposit data (https://deposit.chemspider.com)
The workflow for a user is to:
Integration with ChemSpider
Any structure that is not already found in ChemSpider will be deposited when it is added to the repository. There is potential to strengthen these links with ChemSpider in the future, by exposing data from the repository directly on ChemSpider records or by expanding the new deposition route for other uses.
What’s next
We know there are a lot of features that could be added, but we are keen to get this initial version out and then build on it via user feedback. We see the ability to deposit research data more directly into ChemSpider as an important building block for the future.
Who to contact
Please contact cds@rsc.org if you have any questions or feedback.
The February 2017 Cambridge Structural Database (CSD) data update is now available through the remote desktop. This release added 18,092 new entries to the database and updated CSD software to the latest versions.
(This update was delayed by other maintenance work on the remote desktop. Normally updates are applied as soon as they are released by CCDC.)
The CSD remote desktop offer users of the Chemical Database Service the ability to log in remotely from any computer and use the majority of the software and features found in a local CSD installation. For more information, visit http://cds.rsc.org/about.asp and choose Cambridge Structural Database (CSD).
The National Chemical Database Service recently held two webinars about the functionality of ACD/I-Lab, one of the resources available free to all UK academics via the NCDS.
These videos are now available to watch on our YouTube channel:
Webinar 1: NMR Predictions and drawing tools
Webinar 2: PhysChem, ADME and Tox prediction, and Name generation
Thanks to Dimitris Argyropoulos for hosting these and explaining the capabilities of ACD/I-Lab.
We’ve just updated the NCDS to the all-new DETHERM website – try it out now
With 8.9 million data sets relating to 44,200 pure compounds and 139,400 mixtures, DETHERM is an invaluable resource for researchers in chemistry and related fields. This update features a much-improved search system and user interface, making it easier for you to search the DETHERM database of thermophysical properties.
The Available Chemicals Directory has pricing and supplier information for 3.2 million unique chemicals from over 800 suppliers. We’ve made several improvements to our search interface to help you get the most out of this resource:
Search the Available Chemicals Directory via the NCDS
Substructure search makes finding the chemicals you need simple – and don’t forget that you can add explicit hydrogens to your search query to specify unsubstituted carbon centres.
The ADME-Tox predictive features of ACD/I-Lab are now available through the National Chemical Database Service on a trial basis. These features include industry-leading algorithms for predicting ADME properties such as bioavailability and absorption, as well as toxicity properties such as LD50. A full list of predictive modules available through ACD/I-Lab can be found on ACD/Labs’ website.
Access to ACD/I-Lab is provided free to all UK academics by the NCDS.
This trial will run until the end of July 2015, after which we will use the results of the trial to determine whether ADME-Tox features should be be permanently included as an NCDS resource. If NCDS access to these features is useful for your research, please let us know your thoughts to help us understand the value of this resource to the UK academic community.
Web browser-based National Chemical Database Service resources at http://cds.rsc.org can now be accessed off-campus by logging in using Shibboleth. When accessing NCDS resources off-campus, click “Authenticate with Shibboleth” and then either log in using an Athens Login or choose your academic institution from the UK Federation list.
We hope that Shibboleth access will provide a convenient way for you to access National Chemical Database Service resources from any location.
The access to ARChem via the Chemical Database Service will be withdrawn from 15th July 2014. The developers, SimBioSys, wish to redevelop the product following their acquisition by Wiley, so it will not therefore be available via the CDS after this date. Existing signed-up users have been informed directly.
Find other online scientific resources and databases on the Chemical Database Service homepage.
