Abstract

Four major crystallographic databases record bibliographic, 2D chemical and 3D structural data across the complete chemical spectrum. The largest of these databases, the Cambridge Structural Database, is described and software for search, retrieval, display and analysis of database contents is summarized. The CSD System is now used extensively as a basis for further research that is designed to acquire structural knowledge from the accumulated information. Statistical, numerical and graphical methods of data analysis are described and exemplified with special reference to studies of mean molecular dimensions, conformational preferences, reaction pathways and of intermolecular interactions and molecular recognition mechanisms.

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