The Cambridge Structural Database

The Cambridge Structural Database

2016 | Colin R. Groom, Ian J. Bruno, Matthew P. Lightfoot and Suzanna C. Ward
The Cambridge Structural Database (CSD) is a comprehensive collection of all published organic and metal-organic small-molecule crystal structures, maintained by the Cambridge Crystallographic Data Centre (CCDC). Established in 1965, the CSD serves as a primary resource for sharing structural chemistry data across disciplines. It includes structures from scientific articles and direct publications as CSD Communications. All structures are processed computationally and by expert chemists to ensure accurate chemical identification and data usability. The CSD provides value through standardization, enabling easy access and reuse of data, and through its comprehensive and up-to-date nature, ensuring no relevant structures are overlooked. The database also supports discovery through linking services and standard identifiers, and allows access via software and APIs. The CSD has grown significantly, with over 800,000 entries by 2015, doubling in number over a decade. Structures are increasingly complex, with higher molecular weights and more polymeric or disordered structures. The CSD is a primary data resource, with new structures often published directly through it. The database includes a wide range of structures, from organic and metal-organic compounds to peptides, polysaccharides, and nucleotides, with some structures also appearing in other databases like the Inorganic Crystal Structure Database (ICSD) and the Protein Data Bank (PDB). The CSD's data deposition process involves automated checks and expert validation, ensuring data quality. Structures are assigned unique identifiers, and data is accessible through web services, allowing free access and visualization. The CSD also supports data sharing through DOIs and InChI identifiers, enhancing discoverability and interoperability with other resources. The CSD is used for educational purposes, with a teaching database of 700 carefully selected structures. Users are encouraged to contribute to the CCDC's maintenance and development. The CSD continues to evolve, with new processing systems like CSD-Xpedite automating data management. Future developments include integrating new data sources and improving search capabilities. The CSD remains a vital resource for structural chemistry, supporting scientific discovery and data sharing. The database's value is underscored by its extensive use and citation history, highlighting its importance in the scientific community.The Cambridge Structural Database (CSD) is a comprehensive collection of all published organic and metal-organic small-molecule crystal structures, maintained by the Cambridge Crystallographic Data Centre (CCDC). Established in 1965, the CSD serves as a primary resource for sharing structural chemistry data across disciplines. It includes structures from scientific articles and direct publications as CSD Communications. All structures are processed computationally and by expert chemists to ensure accurate chemical identification and data usability. The CSD provides value through standardization, enabling easy access and reuse of data, and through its comprehensive and up-to-date nature, ensuring no relevant structures are overlooked. The database also supports discovery through linking services and standard identifiers, and allows access via software and APIs. The CSD has grown significantly, with over 800,000 entries by 2015, doubling in number over a decade. Structures are increasingly complex, with higher molecular weights and more polymeric or disordered structures. The CSD is a primary data resource, with new structures often published directly through it. The database includes a wide range of structures, from organic and metal-organic compounds to peptides, polysaccharides, and nucleotides, with some structures also appearing in other databases like the Inorganic Crystal Structure Database (ICSD) and the Protein Data Bank (PDB). The CSD's data deposition process involves automated checks and expert validation, ensuring data quality. Structures are assigned unique identifiers, and data is accessible through web services, allowing free access and visualization. The CSD also supports data sharing through DOIs and InChI identifiers, enhancing discoverability and interoperability with other resources. The CSD is used for educational purposes, with a teaching database of 700 carefully selected structures. Users are encouraged to contribute to the CCDC's maintenance and development. The CSD continues to evolve, with new processing systems like CSD-Xpedite automating data management. Future developments include integrating new data sources and improving search capabilities. The CSD remains a vital resource for structural chemistry, supporting scientific discovery and data sharing. The database's value is underscored by its extensive use and citation history, highlighting its importance in the scientific community.
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