Scientific Consultancy

Scientific consultancy from CCDC allows you to gain access to our talented and enthusiastic structural science researchers, developers and technical specialists; and a wealth of knowledge and expertise.

Our services include contract research, solid-form services, discovery services and data curation.

Contact us to discuss your requirements further

Consultancy meeting

Contract Research

Your time and resource to spend on research projects is limited, and you want to be sure you are utilising all tools to best advantage. Why not let our contract research team take on some of the load?

Drug Design Consultancy

Harness our extensive expertise in structural chemistry including structure based virtual screening, series optimisation, 3D model validation and much more. Benefit from the shared depth of expertise of our collaborative joint service with InhibOx that includes extensive commercial drug discovery experience and use of leading proprietary technologies developed by both organisations (including the world leading docking package GOLD).

Drug Development Consultancy

Use our expertise to make the right choices in solid-form selection using our world leading expertise in Solid Form Informatics. We can provide a risk assessment for your solid forms and rationalise your screening protocols by applying the knowledge contained within our database of hundreds of thousands of crystal structures.

Service to Solve Molecular Structure from Powder Pattern

Using DASH, one of the most powerful packages for structure solution from PXRD and developed by CCDC in collaboration with the Rutherford Appleton Laboratory, our expert crystallographers can help you to solve knotty problems.

Cheminformatics Search Service

Pay-per-search – we can design Cambridge Structural Database search queries for you to search the published literature for known molecular structures. We provide datasets for individual projects and patent investigations.

Materials Science Consultancy

Apply real-world knowledge to aid in your design of metal-organic frameworks, catalysts, molecular electronics, nanotechnology or novel optical materials.

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Full interaction map to show interaction preferences for co-crystal design CSD REFCODE: TEGFOC DOI: 10.5517/ccz0wvp

Solid Form Services

Understand your solid form better with our solid form informatics reports and consultancy services.

Leverage our expertise, data-driven insights, and the latest software to better understand your solid form. From rapid reports to long-term partnerships, we provide secure, confidential analysis of your proprietary structures.


Why use Solid Form Informatics?

  • Insights derived from validated experimental data in the CSD, Cambridge Structural Database
  • Complement and guide experimental screening
  • Support the in-licensing of a compound for further development
  • Trusted approach used by top pharmaceutical companies to guide drug development

Solid Form Health Check

The Solid Form Health Check provides bespoke analysis of your crystal structure to assess risks and guide your development.

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Solid Form Snapshot

A fast, standardised, data-driven report on your solid form, delivered securely to your inbox to assess risks and inform your development.

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Solid Form Snapshot Solid Form Health Check
Secure data transfer to submit your CIF file
Strict confidentiality under CDA
Informatics-based analysis of your proprietary solid form
Uses CSD data with CSD-Core and CSD-Materials analyses
Guide and complement experimental work
Requires CIF with R-factor below 7.5 and all hydrogens placed
Analysis Standardised, simple. Bespoke, advanced.
PDF report of results
Executive summary
Expert interpretation of results

Custom analysis to suit system and your requirements

Advice on next steps

Debrief meeting to present key findings and answer your questions
Delivery time after CIF received  2 working days  8 working days

Discovery Services

Docking: let us assess binding and help you understand your compound behaviour.

Pharmacophore analysis: define and understand key features of your structure to identify possible changes.

Scaffold hopping: improve the medicinal chemistry of a lead through targeted core scaffold changes.

Contact us to discuss your needs.

Data Curation Services

Custom database creation: make your crystal structures, XRD patterns and more organised and searchable.

Database assessment: have our team assess your systems and make recommendations to improve speed and access.

Contact us to discuss your needs.