Which resource has the information I need?
The resources currently provided by the Service span the organic, inorganic and properties chemical landscape.
Physical Science Resource Resource Type Data Source Crystallographic Resources Organic CSD CrystalWorks Inorganic ICSD CrystalWorks Other PSDS Resources Properties DETHERM Propersea Chemical Availability Chemical Availability Search (ChASe)
For more information on each service, please see the sections below.
How do I access PSDS resources?
To access the CSD Remote Desktop, please ensure you have completed the CSD memorandum of understanding by going to the homepage and clicking the CSD tile. At the bottom of the form is a tick box to request ‘Access to the remote desktop feature’, please ensure this is ticked. If you have already completed the memorandum before, please navigate to this form and complete the details there. This username and password can then be used to access the CSD Remote Desktop from any location.
All other services are accessed via web interfaces from the PSDS homepage, and should automatically be accessible to users on UK academic networks. (When accessing the CSD or CrystalWorks, you will first be asked to accept the relevant terms and conditions of use.) If you encounter a login screen while on your institution’s network, please let us know.
If you require access to web-based services from outside your institution, please go to the registration page to a request a PSDS username and password. The PSDS also now supports login via Shibboleth on our log in page, if you already have a PSDS user account you will be able to merge this with your shibboleth login.
If you are experiencing difficulties accessing PSDS services, please send us an email and we’ll get back to you as soon as possible.
Resources available via the PSDS
The Physical Sciences Data-science Service currently offers access to the following resources under a general UK academic licence.
Cambridge Structural Database (CSD)
The Cambridge Structural Database (CSD) is a collection of over 600,000 small-molecule organic and organometallic crystal structures that can be visualised and downloaded.
CrystalWorks is developed by the Science and Technology Facilities Council (STFC) at Daresbury, and provides access to the wide range of crystallographic structural data made available by the Physical Science Data-science Service.
DETHERM is one of the world’s largest thermophysical databases.
Inorganic Crystal Structure Database (ICSD)
The Inorganic Crystal Structure Database (ICSD) is a database provided by FIZ Karlsruhe GmbH.
Chemical Availability Search (ChASe)
Find a supplier for your chemical through this PSDS portal, searching the directories of many suppliers to source your chemicals.
Propersea (Property Prediction)
Structure based prediction of physico-chemical properties and IUPAC names