Data processing: database and file management or data structures – Database design – Data structure types
Patent
1997-06-26
1999-09-07
Von Buhr, Maria N.
Data processing: database and file management or data structures
Database design
Data structure types
702 27, G06F 1730
Patent
active
059501928
ABSTRACT:
A chemical structure search system and method are disclosed which expand the capabilities of existing systems by capitalizing on the strengths of relational database technology. The system allows the user to optimally store and search chemical structure information including information relating to multi-valued atoms, multi-typed bonds, Markush searching and various other options in a relational database management system. The system provides a complete chemical information system which includes capabilities for: (1) exact structure searching; (2) substructure searching; (3) key searching; (4) chemical name searching; (5) molecular formula searching; (6) registration of new molecules; (7) structure import/export; and (8) data editing. Additionally, the chemical structure search system allows the routine integration of chemical structure data with other related information such as inventory, spectroscopic data and clinical data via standard relational database methods. The system also has dynamic querying capabilities which allow the user to be notified of any new chemicals that are entered into the database that are responsive to previously run queries. Furthermore, structure classes can also be implemented which allow the user to store certain types of information about particular types of chemical structures such as steroids. Accordingly, users can later call up this information in a quick and efficient manner without re-entering or performing previously run queries.
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Brazil Joanne
Hoover Jeffrey R.
Moore Jeffrey
Oxford Molecular Group, Inc.
Von Buhr Maria N.
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