CDS - free trial of Symyx DiscoveryGate.

DiscoveryGate is a way of accessing information including organic synthesis, bioactivity, physical property, pharmacology, metabolism/toxicity, and chemical sourcing data via the web.

Request access and find out more at:
http://cds.dl.ac.uk/cds/datasets/orgchem/symyx/discoverygate.html

CDS - new databases

From CDS announcement email:

Three specialist databases from Accelrys are now available from Chemical Database Service.

They are:

* BioCatalysis - Synthesis using Enzymes and Micro organisms
* Protecting Groups - Reactions involving selective Protection/Deprotection
* Solid Phase Synthesis - For use in combinatorial synthesis

Further information (with links to the databases) can be viewed at:

http://cds.dl.ac.uk/cds/datasets/orgchem/accelrys/Accordexplorer.html

Access is via the Accord Database Explorer (Windows PC users only). It can be downloaded by logging in then using the Downloads link on the CDS Home page:

http://cds.dl.ac.uk/
You will also need to download and install a cut down version of an Oracle client supplied by CDS.

Register for use of the Chemical Database Service. Link from CSD entry in Chemistry Databases

Chemical Database Service (Daresbury) newsletter - Autumn09

This edition of the Newsletter gives further details about the current state of the Service, what has changed over the past 6 months and what may be coming soon.

http://cds.dl.ac.uk/newsletters

In particular there is news of the Mid-Range Facilities Review and upcoming trials of Organic Syntheses and Available Chemicals Directory databases.
There is also news about login changes, generating a forgotten password, Twitter, database updates plus links with ChemSpider from CrystalWeb.

CDS petition for continued funding and Shibboleth access

CDS has an iPetition set up to help produce a Statement of Need (SoN) to ensure future EPSRC funding for a national chemical database facility.

http://cds.dl.ac.uk/cgi-bin/news/disp?ipetition

The deadline for production of the SoN is 12th June.


CDS latest newsletter can be found from http://cds.dl.ac.uk/newsletters

As well information about the available datasets, the summer newsletter mentions Shibboleth access to CDS. Using Shibboleth allows access to the CDS using your EASE login details (hover over the red square and choose "Institutional Login ('Shibboleth')."

CDS - Upgrades for the Inorganic Crystal Structure Database software

Recent updates to the ICSD-WWW software have been implemented which brings the CDS implementation fully in line with the ILL master server at Grenoble.

These updates bring various improvements. In particular a number of users of Internet Explorer may have previously experienced difficulties with the Jmol display where thermal ellipsoids were not accessible and various tick boxes were not displayed. These problems have now been fixed.

details from http://cds.dl.ac.uk/cgi-bin/news/disp?icsd

CrystalWeb data update and improved searching

CDS Homepage is at: http://cds.dl.ac.uk

The latest ICSD update is now available via CrystalWeb and ICSD-WWW. Also the coordination search facility within CrystalWeb has been restored.

The latest version of the Inorganic Crystal Structure Database (ICSD 2008/2) has been added to CrystalWeb.

Coordination searching has been restored to the CrystalWeb Formula and Coordination Search Form. Coordination searching is available for all component databases except the NIST Crystal Data Identification File. The maximum coordination limit has been removed.

Crstalweb information at http://cds.dl.ac.uk/cgi-bin/news/disp?crystalweb
Inorganic Crystal Structure Database information at http://cds.dl.ac.uk/cgi-bin/news/disp?icsd

EPSRC agree continued ACD/Labs I-Lab Funding

EPSRC has agreed continued funding of I-Lab for the full three years.

Details of the I-Lab system and the EPSRC decision

CDS users are encouraged to carry on making full use of the I-lab system and all CDS components to help ensure their continued availability beyond 2011.

ACD/Labs Online (I-Lab) is an Internet-based service that allows instant access to spectroscopy information, compound name generation and property prediction programs.

All registered CDS users are eligible to access the system. The service is mounted on a server operated by the CDS.

UK academics can register to use the CDS.
Definition of UK Academic

SPRESI Molecule and Reaction Database

SPRESI database is "the world's 3rd largest structure and reaction database" and available to the academic community for evaluation on the Daresbury Chemical Database Service.

SPRESIWeb is started from the usual RED SQUARE menu on the CDS main web page.

After logging on to the CDS site, users will be automatically redirected to the SPRESI site.

For more information see:-
http://cds.dl.ac.uk/cds/datasets/orgchem/spresi/spresi.html