Solutions
Data, Software, and Services to Advance Structural Science.
The Cambridge Crystallographic Data Centre (CCDC) are world-leading experts in structural chemistry data, software, and knowledge for materials and life sciences research and development.
CCDC data, software, and services are trusted by academic and industrial institutions around the world with tens of thousands of active users from top 10 pharma to leading research institutions.
Explore our products here, from software for drug discovery and design, to protein-ligand docking algorithms, to in silico tools to evaluate solid materials stability, and, of course, the world’s database of small-molecule organic and metal-organic crystal structures: the Cambridge Structural Database (CSD).
Our Software
Fields
- All Fields
- Academic Research
- Agrochemical
- Crystallography
- Pharmaceutical Software
- Teaching and Learning
Use cases
- Develop New Materials
- Discover New Molecules
- End-to-End Molecular Design
- Integrate to other softwares
- Learn and Educate
- Manage CSP Landscapes
- Search Known Small Molecules
- Sub Category
- Understand Particle Behaviour
- Work with our experts
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ConQuest in Action: Finding an EP2-selective receptor agonist scaffold for treatment of glaucoma
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CSD In Action: optimising metal-organic frameworks (MOFs) for the recovery of volatile organic compound (VOC) emissions
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CSD in action: CSD-validated data helps discover compounds with 50% increase in potency for treatment of SMA
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CSD in action: training a machine learning model to predict MOF pore accessibility with 80% certainty
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CSD-Materials in action: identifying polymorphism in the anti-inflammatory drug Flunixin
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What CSD Users Say
Roche Pharmaceutical Research
“The breadth and depth of CSD data is enormous today. It covers a lot of space of interest to medicinal chemistry. Plus, you know that every structure you see has been derived from experiment. This leads to very high confidence in predictions based on CSD data, whether you predict a conformation or piece together a new structure from components.”
Dr Martin Stahl, Head of Lead Discovery
Georgetown University
“The ability of the database to do new and interesting types of queries has a lot of potential – there’s no limit to how many questions you could ask.”
Professor Jennifer Swift
MSD Merck & Co
“The use of the Cambridge Structural Database (CSD) and of the CCDC software to analyse the data provided an invaluable resource to enable an understanding of the applicability of CSP for predicting solvate formation of drug candidates.”
Dr Luca Iuzzolino, Senior Scientist in Computational Chemistry
University of Regensburg
“ConQuest is a very convenient software integrated with the CSD—a comprehensive structural database. It allows summarizing the geometric characteristics of a molecular fragment of interest in a set of crystal structures and easily visualizing and analyzing the data. Without this tandem-like software, our review article would be neither so informative nor so complete. Now we are sure that no compound or crystal structure escaped our attention.”
Dr Alexander Virovets