Acknowledging the Service

It is important that users acknowledge the Chemical Database Service (CDS) and cite it correctly in publications. This is one of the Conditions of Use of the Service, and it also helps us to track patterns of Service usage and demonstrate its importance to our funding authority.
Future finance and indeed the continued existence of the Service depend on demonstrating our cost effectiveness and value to the UK community.

The results of research using the Chemical Database Service may be published through the normal academic channels provided the following acknowledgement is quoted:

"We wish to acknowledge the use of the EPSRC funded Chemical Database Service at Daresbury"

The following marker publication should also be cited:

"The United Kingdom Chemical Database Service", Fletcher, D.A., McMeeking, R.F., Parkin, D., J. Chem. Inf. Comput. Sci. 1996, 36, 746-749.

Note it is also a stipulation of the Cambridge Crystallographic Data Centre that users of their software via the CDS cite the appropriate references. Further details can be accessed by selecting from the list below.

Electronic Links

Main CDS article to cite in papers
Citing the Cambridge system
Crystallographic database review articles

Background Information

The main CDS reference is not the latest reference describing the CDS. It does, however, allow us to track Service use. You are, of course, welcome to cite other articles as they appear. For instance, there is the more recent article which has appeared in the journal Cheminformatics.

The Chemical Database Service has existed, in one form or other, for about 30 years. In 2004 a book edited by Jan Noordik was produced covering developments in computerised chemical information around the end of the twentieth century. This includes a chapter written about the CDS.

"The United Kingdom Chemical Database Service: CDS", Bob McMeeking & Dave Fletcher, in Cheminformatics Developments: History, Reviews and Current Research (Ed. J. H. Noordik), IOS Press, Amsterdam, Chapter 2, pp 37-67, 2004.

The CDS chapter covers the history of the Service from its early phase (solely providing online access to the Cambridge Structural Database) to its present extensive data portfolio, and gives a good snapshot description of the current Service. In addition it provides background material on the Service. Importantly, the chapter outlines the key role the CDS played in enabling the JISC Beilstein/CrossFire service in 1996/7.

Electronic Links

Link to CDS article in "Cheminformatics"

Organic Chemistry Components

Unfortunately Beilstein did not become a continuing part of the Service. However, there remained a great deal of complementarity between the organic synthesis material in the ISIS reaction database systems, which continued as part of the CDS, and those in Beilstein and indeed CAS/SciFinder. The following reference gives some details.

"Comparison of Beilstein CrossFirePlusReactions and the Selective Reaction Databases under ISIS", Parkar, F.A., Parkin, D., J. Chem. Inf. Comput. Sci. 1999, 39,281-288.

The EPSRC ceased funding for the full Service following a decision made by a Review Panel in 2006. Following from this we had to withdraw access to key organic components in May 2007. However, more recently we have been able to partially restore various features. These include various databases compiled inhouse covering: commercially available chemicals, screening compounds, and specialist building block chemicals. The Service also makes available the comprehensive SPRESIweb database system from ChemInform GmbH. Other potential new components are made available periodically via user evaluation trials.

If you you are currently writing up work which made use of the withdrawn components it is still important to remember to cite the Service. We are currently exploring alternative funding possiblities for the areas covered by the lost components. Your citations may provide us with useful support material in this task.

Electronic Links

Link to Beilstein/ISIS comparison article