Cambridge Structural Database(CSD)

From DrugPedia: A Wikipedia for Drug discovery

The Cambridge Structural Database - The world repository of small molecule crystal structures The Cambridge Structural Database (CSD) is the principal product of the CCDC. It is the central focus of the CSD System, which also comprises software for database access, structure visualisation and data analysis, and structural knowledge bases derived from the CSD.

[edit] CSD records

The CSD records bibliographic, chemical and crystallographic information for:

organic molecules and metal-organic compounds whose 3D structures have been determined using X-ray diffraction or neutron diffraction The CSD records results of: single crystal studies and powder diffraction studies which yield 3D atomic coordinate data for at least all non-H atoms. In some cases the CCDC is unable to obtain coordinates, and incomplete entries are archived to the CSD. The CSD includes crystal structure data arising from:

publications in the open literature and Private Communications to the CSD (via direct data deposition)

The CSD does not store:

Polypeptides and polysaccharides having more than 24 units. These are recorded in the Protein Data Bank. Oligonucleotide: These are stored in the Nucleic Acids Data Bank. Inorganic structures, which are stored in the Inorganic Crystal Structure Database Metals and Alloys, which are stored in CRYSTMET®. The Cambridge Structural Database (CSD) is distributed as part of the CSD System which includes software for:

search and information retrieval (ConQuest), structure visualisation (Mercury), numerical analysis (Vista) and database creation (PreQuest).