Chemical structures, integration with

Meyer, D.E. Microcomputer-Based Software for Chemical Structure Management A Comparison . In Graphics for Chemical Structures Integration with Text and Data , Warr, W.A. Ed. ACS Symposium Series 341 American Chemical Society Washington, 1987 pp. 29-36. 

MAECIS contains five major sections that are integrated into a single system. At its center is a database management system that handles the storage and updating of data and chemical structures. Associated with this section is an information retrieval section that allows one to search the database for specific information composed of any combination of data and/or substructures. Once information is retrieved, it can be displayed on a computer terminal or sent to a printer for hardcopy output using the display section of MAECIS which includes the ability to display chemical structures in various formats. The final two sections of MAECIS allow for the manipulation of chemical structures and the calculation of various molecular properties that are related to chemical structures. 

Integration of Chemical Structure Data with Property Data... 

Patent databases are therefore integrated databases because facts, text, tables, graphics, and structures are combined. In patents that include chemical aspects (mostly synthesis or processing), the chemical compounds are often represented by Markush structures (see Chapter 2, Section 2.7.1). These generic structures cover many compound families in a very compact maimer. A Markush structure has a core structure diagram with specific atoms and with variable parts (R-groups), which are defined in a text caption. The retrieval of chemical compounds from Markush structures is a complicated task that is not yet solved completely satisfactorily. 

We conclude this review with an example of the application of SPFM to corrosion studies. Atmospheric chemical corrosion constitutes a severe threat to the structural integrity of... 

---