Warehousing Reactions

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Reaction databases are designed to store chemical reactions and related data. A reaction is characterized by a set of reactants, products and experimental condition, such as temperature, pressure and solvent. The proper handling of this complex information requires a specific database scheme and an add-on application to register and retrieve reactions.
Reaction databases are commonly used in the area of synthetic chemistry or for the storage of biochemical reactions. These databases can be extended to record metabolic pathways.

Archiving and Retrieving Reactions

C@ROL is a versatile molecule-oriented data warehousing system for the storage of chemical reactions, 2D structures, and multiple 3D conformations of chemical compounds. C@ROL is a client-server application that includes a powerful structure search engine for the retrieval of chemical reactions and their related data. This engine can perform reaction searches, structure and sub-structure searches, similarity searches and precursor searches. For more details follow the link Structures, Reactions and Data Retrieval.

The combination of C@ROL with the Biochemical Pathways database BioPath is called BioPath.Explore. This system provides a convenient electronic access to the entire information stored in this database by a variety of standard search methods and retrieval techniques.