[Logo] Centre for Molecular and Biomolecular Informatics
Radboud University Nijmegen
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Databases for Cheminformatics

Nine Dutch universities participate in the Dutch Cheminformatics Consortium. As a result of this collaboration they have access to four databases: REAXYS, CSD, ICSD and ACD. Details for these databases and how to approach these databases can be found below.

REAXYS

Description: Synthesis Planning, Reaction and Structure Retrieval: a chemical database system containing a very large database of compounds and their properties, reactions, and citations (including abstracts).

- access REAXYS via www.reaxys.com (based on IP-adresses of universities).

- Reaxys Medicinal Chemistry: available as a trial for 12 months (via the Reaxys website)

- Note: there is a link from Reaxys to Discovery Gate which gives access to the ACD (Available Chemicals Directory, see below)

CSD-System

Description: the Cambridge Crystallographic Database system contains programs like ConQuest, Mercury, GOLD, DASH and Vista. The CSD database contains X-ray and neutron diffraction studies on organic compounds, organometallic compounds and metal complexes.

- the Cambridge Structural Database system can be installed on your own PC (please consult your local Cheminformatics contact person)

- further information on the CSD system can be found on: https://www.ccdc.cam.ac.uk/

- access to the CSD is also possible via WebCSD: http://webcsd.ccdc.cam.ac.uk/

- access is also possible via the Cheminformatics server cmbi14.cmbi.ru.nl

- to obtain a login for server access please visit: http://cheminf.cmbi.ru.nl/regist/index.shtml

Please note:
Structures deposited with CCDC are scientifically enriched and included in the Cambridge Structural Database (CSD) which underpins a range of software solutions offered by CCDC. They are also made publically available for download at the point of publication or at consent from the depositor. For access of structures directly from the CCDC go to:

https://summary.ccdc.cam.ac.uk/structure-summary-form

The latest option does not require the installation of the CSD system or registration as a Cheminformatics Consortium user.
ICSD

Description: X-ray analyses of inorganic compounds. Searchable using a WWW interface

- the Inorganic Crystal Structure Database can be accessed via: https://cheminf.cmbi.ru.nl/icsd/

- for access you need a login and password

- to obtain a login for server access please visit: http://cheminf.cmbi.ru.nl/regist/index.shtml

ACD

Description: The Available Chemicals Directory (Accelrys ACD) database is one of the largest structure-searchable collections of commercially available chemicals in the world, with pricing and supplier information for over 3.2 million unique chemicals, including 3D models, from nearly 830 suppliers worldwide.

- the Available Chemicals Directory is available via Discovery Gate (ACD DG)

- there is a link from Reaxys to ACD DG

- the Dutch Cheminformatics Consortium has access for 90 users

- Discovery Gate can be accessed via: https://www.discoverygate.com/dg3

- a login can be requested via R. de Gelder: r.degelder@science.ru.nl ; please send him your first name, surname and e-mail address