Patent ID: 8306755
Filing Date: 2012-11-06
Classification: G16B,G16C

Abstract:
1. A similarity search method, comprising: generating a feature database which stores data pertaining to a candidate molecule, as executed by a processor of a computer, said database comprising a hash table having entries which are generated based on: generating scoops, descriptors and keys for a query molecule; identifying a match between a query molecule fragment pair feature and a candidate molecule fragment pair feature by comparing said keys of said query molecule to said keys in said feature database, a correspondence comprising a scoop for said candidate molecule stored in said feature database having a same key as a scoop for said query molecule; using said match to align a fragment pair of said candidate molecule to said query molecule by overlaying internal coordinate axes of said scoops for said candidate and query molecules, said correspondence implying an alignment of said candidate molecule and query molecule fragment pairs; determining the number of candidate molecule fragment pairs the number of candidate molecule fragment pairs in the set, C assembling the entirety of the fragment pairs of said candidate molecule to form an alignment thereof onto said query molecule; retrieving a candidate molecule fragment pair having at least a predetermined number of matching features; and displaying a result of said retrieving said candidate molecule fragment pair.