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
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
"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.
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.
Organic Chemistry Components
Unfortunately Beilstein did not become a continuing part of the
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
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
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
If you you are currently writing up work which made use of the
withdrawn components it is still important to remember to cite the
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