Knowledge-based molecular retrieval system and method using a hierarchy of molecular structures in the knowledge base
Patent 5418944 Issued on May 23, 1995. Estimated Expiration Date: 
May 23, 2012. Estimated Expiration Date is calculated based on simple USPTO term provisions. It does not account for terminal disclaimers, term adjustments, failure to pay maintenance fees, or other factors which might affect the term of a patent.
May 23, 2012. Estimated Expiration Date is calculated based on simple USPTO term provisions. It does not account for terminal disclaimers, term adjustments, failure to pay maintenance fees, or other factors which might affect the term of a patent.Patent ReferencesStorage and retrieval of generic chemical structure representations Method and apparatus for determining the chemical structure of an unknown substance Method of storing and searching chemical structure data Patent #: 4811217 InventorsApplicationNo. 824629 filed on 01/23/1992US Classes:707/3, Query processing (i.e., searching)702/27, Molecular structure or composition determination707/104.1Application of database or data structure (e.g., distributed, multimedia, image)ExaminersPrimary: Black, Thomas G.Assistant: Loomis, John C. Attorney, Agent or FirmInternational ClassG06F 015/40AbstractA molecular retrieval system and method answering to similarity queries for retrieving molecular structures, stored into a source database (22) and having a required similarity with an input structure, which can contain a set of property regions. A target database (23) stores the molecular structures described in hierarchical way and a knowledge base (24) stores well-known molecular fragments at different levels of description together with a set of physical and chemical properties associated to each fragment. A fragment recognizer (21) analyzes the fragments of the input structure to represent them in a hierarchical way. A query analyzer (25) analyzes the similarity queries and selects the appropriate level of molecular representation on the basis of the required similarity. Matching means (26, 27, 29), when called by the query analyzer (25), perform a matching of the representation of the input structure against the representations of the molecular structures stored into the target database (23) at the selected level of molecular representation.Other References
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