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Cheminformatics Data Scientist

The Cambridge Crystallographic Data Centre (CCDC)
Cambridge, Cambridgeshire (GB)
Closing date
22 May 2022

Job Details

The Cambridge Crystallographic Data Centre (CCDC) is a not-for-profit registered charity dedicated to the advancement of chemistry and crystallography for the public benefit through structural chemistry data, software and knowledge for use in pharmaceutical discovery, materials development, research and education. We compile and distribute the Cambridge Structural Database (CSD), a certified trusted database of fully curated and enhanced organic and metal-organic structures used by researchers around the globe. Our cutting-edge software empowers scientists to extract invaluable insights from the CSD and proprietary data, informing and accelerating their research and development.

We are seeking a Cheminformatics Data Scientist to work with CCDC’s Discovery Science team on both science and software supporting pharmaceutical industry partners as well as academic researchers and educators. The successful applicant will join the team in Cambridge, UK to drive cheminformatics research, apply computational chemistry and data science techniques to generate and test hypotheses, advance the application of CSD data to provide a foundation for future research and development, and develop research into testable scientific methods, software tools and prototypes to support commercial software development.

For further details on this position, please see the full Job Description.



The scientists and software developers at the CCDC create and supply the database system storing all the world's published 3D structures of small-molecule chemicals. This system is used by thousands of organisations in over 70 countries. We’re a professional organisation, established as a not-for-profit company and registered charity. Although independent, we are a University of Cambridge Partner Institute. We offer an excellent benefits package and a competitive salary in a lively and friendly organisation of around 70 staff worldwide.

Our activities span scientific research, software development, finance, IT systems, commercial, and support - and we need great people in every team to continue our mission to advance structural science!

Find Us
01223 336408
12 Union Road

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