Abstract: The present invention is a chemical structure search system and method which expands 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 present invention 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.
Type:
Grant
Filed:
February 16, 1999
Date of Patent:
October 16, 2001
Assignee:
Oxford Molecular Group, Inc.
Inventors:
Jeffrey Moore, Joanne Brazil, Jeffrey R. Hoover
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.
Type:
Grant
Filed:
June 26, 1997
Date of Patent:
September 7, 1999
Assignee:
Oxford Molecular Group, Inc.
Inventors:
Jeffrey Moore, Joanne Brazil, Jeffrey R. Hoover