Warehousing Structures and Data

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Databases are commonly used to centralize and secure chemical structures and related data. Since structures are not part of the objects that can be handled by standard databases, their archival is done by means of database add-on applications. These applications provide the features needed to register and retrieve structures.

Archiving and Retrieving Structures and Data

C@ROL is a chemical warehouse system designed to store 2D structures and multiple 3D conformations of chemical compounds along with experimental data. The system is implemented as a client-server application. The web-based user interface provides access to the features of the structure search engine for the retrieval of chemical compounds and their related data. This engine can perform structure and sub-structure search, similarity search, and transformation search. For more details follow the link Structure, Reaction and Data Retrieval.
When C@ROL is linked to the Commercially Available Compound database the system generates compound purchase orders.

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.