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The Cambridge Structural Database in retrospect and prospect.

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The Cambridge Crystallographic Data Centre (CCDC) archives small-molecule crystal structures, providing valuable data for research. Its growth and impact on structural chemistry and drug discovery are detailed.

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Area of Science:

  • Crystallography
  • Materials Science
  • Drug Discovery

Background:

  • Established in 1965, the Cambridge Crystallographic Data Centre (CCDC) archives crystallographic data.
  • The Cambridge Structural Database (CSD) is a historical archive of small-molecule crystallography with nearly 700,000 structures.
  • Approximately 40,000 new structures are added annually.

Purpose of the Study:

  • Trace the origins and development of the CCDC.
  • Describe the growth of the Cambridge Structural Database (CSD) and its software.
  • Summarize the impact and value of the CSD for scientific research.

Main Methods:

  • Historical review of the CCDC's establishment and evolution.
  • Description of the Cambridge Structural Database (CSD) content and growth.
  • Analysis of the CSD's application in various scientific fields.

Main Results:

  • The CCDC evolved from a publicly funded entity to a self-financing charity.
  • The CSD has grown significantly, becoming a comprehensive resource for crystallography.
  • The CSD and associated software support research in structural chemistry, materials science, and life sciences.

Conclusions:

  • The CCDC and CSD are invaluable resources for scientific research, particularly in drug discovery.
  • The article discusses the CCDC's funding model in the context of open access and open data.
  • The CSD's extensive data archive continues to support advancements in multiple scientific disciplines.