Patent ID: 6542903
Filing Date: 2003-04-01
Classification: B01J,G16C,Y10S

Abstract:
A method of calculating similarity or substantial similarity between a first chemical descriptor and at least one other chemical descriptor in a matrix representing a plurality of chemical and textual descriptors, comprising the steps of:(a) creating at least one chemical descriptor and at least one textual descriptor for a plurality of compounds in a collection of compounds; (b) preparing a descriptor matrix X, wherein the descriptor matrix comprises: at least one text source containing textual and chemical descriptions, and; at least one descriptor associated with each respective text source, wherein the entries in the descriptor matrix indicate a relevancy of a descriptor to a respective text source; (c) performing a singular value decomposition (SVD) of the descriptor matrix to produce resultant matrices; (d) using at least one of the resultant matrices to compute the similarity between the first chemical descriptor di and the at least one other chemical descriptor dj, ; and e) outputting at least a subset of the at least one other chemical descriptor ranked in order of similarity to the first chemical descriptor.