This page remains available mainly as an historical document

Most or all of the features are no longer available via the CDS/DL website since provision of the EPSRC UK national Chemical Database Service has been taken over by the Royal Society of Chemistry from 1st January 2013.

Some related features may be available via the RSC/CSD portal. For details of what is currently available on the CDS/DL website and also links to the RSC/CDS portal follow the link to the CDS/DL Homepage.

The information below was produced before January 2013 and may be incorrect at the present time.

Databases with Web Interfaces

The this page features database systems available via web interfaces. Not all systems are available as yet by the web browser mechanism, but we will provide access to an increasing number of important database systems in this way in the future.
As indicated above some databases are available via alternative access mechanisms. For a summary of all details see the "CDS Access Mechanisms" webpage. In addition we provide Flash movies demonstrating use of most of the components of the Service including the individual web applications.

You can link to all web browser databases via the Access Data in the top menu, which is present on all CDS webpages.

To search the the web browser databases you need to be logged on using your CDS username. A login form is available via the CDS Homepage, and you are advised to use this page as your initial point of entry to the Service.

Current browser interfaces

CrystalWeb

CrystalWeb provides access to all of the crystallographic databases hosted by the CDS. These include the Inorganic Crystal Structure Database, the Cambridge Crystallographic Database, CrystMet from Toth Inc., and the Crystal Data Identification File. In addition data from the Southampton Crystallographic Repository is harvested, and we will add further repositories as they become available through the eCrystals Project.

CrystalWeb allows full bibliographic, cell data, formula and atom coordination searching. It uses the open source Jmol Java application to provide 3D display of crystal structures, and coordinate datasets can be downloaded in a variety of formats. Hyperlinks are provided to the on-line literature (where available), giving single click access to electronic sources of the article via the CrossRef system.

Introductory clips showing how to starting and using CrystalWeb are available in the Flash movie collection. There is also an article giving some brief details. For update information see the CrystalWeb News page

ICSD on the Web

The Inorganic Crystal Structure Database is produced by FIZ Karlsruhe and the NIST in cooperation. It includes full crystallagraphic structural data for the full range of inorganic and, more recently, metal systems. The web interface was introduced by Alan Hewat at the Institut Laue-Langevin (ILL), in Grenoble France. It provides a wide range of search and display options. Further details of the ICSD database are available on our site. Data from the ICSD is also included in the CDS CrystalWeb system.

IsoStar

IsoStar is a knowledge base of experimental and theoretical information on non-bonded interactions. It is a component of the Cambridge Crystallogrphic Database System. It was originally available on the CDS solely as an XWindows application. A browser interface is available and we recommend its use. However, you do need to download an associated client application. This is now available for most platforms.

For further details (including how to download the client) see the CDS IsoStar page.

SpecSurf

SpecSurf is a Java based application for Spectral searching, spectral prediction and structure elucidation. SpecSurf provides access to the SpecInfo database system developed by Chemical Concepts.

ACD/Labs I-Lab System

The Advanced Chemistry Development I-Lab system is an Internet-based service that allows you to get instant access to spectroscopy information, compound name generation and property prediction programs. It is available via the ChemSketch client/server software as well as the web interface. Further details are available via the CDS I-Lab page.

Detherm on the Web

The Detherm database system is produced by Dechem e.V. It contains one of the world's largest collections of thermophysical property data for both pure compounds and compound mixtures. There are around 6 million data sets, comprising around 127,000 systems (over 26,500 pure substances and around 101,300 mixtures) covering more than 500 properties fields.

Detherm is also available to CDS users via a client/server interface. Detherm on the Web gives access to the full range range of Detherm data, but the client/server provides more extensive functionality. Further details are available via the CDS Detherm page.

The SPRESIweb System

The SPRESI system is made available by InfoChem GmbH and includes the world's 3rd largest molecule and reaction database collection. It containing over 7.0 million structures, 3.9 million reactions and also includes over 31.7 million pieces of additional information such as chemical and physical properties, reaction conditions and keywords abstracted from the primary literature.

InfoChem hold the rights to the data and the CDS implementation provides a direct link through to their server, which holds all the latest updates. Further details are available via the CDS SPRESI page.

Available Chemicals & Screening Compounds

Both these databases are made available using the JChem software produced by ChemAxon. The Available Chemicals database consist of 4 main suppliers containing 172,300 entries with up-to-date pricing. The Screening Compounds database contains compounds from 11 suppliers amounting to over 2.3 Million entries. Both databases are maintained and updated by the CDS.

You can get further details on the databases, training material and other aspects of the Service via the top Pulldown Menu. For details about data updates and software developments look at the News Files section under the Archives heading. Current News Items are posted on the CDS homepage.