Patent ID: 6332138
Filing Date: 2001-12-18
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 each compound in a collection of compounds;(b) preparing a descriptor matrix X, wherein the descriptor matrix comprises:a plurality of columns, each column representing a text source containing textual and chemical descriptions, and;a plurality of rows, each row comprising a descriptor associatedwith each respective text source,wherein the entries in the descriptor matrix indicate the number of times a descriptor occurs in each 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 d.sub.i and the at least one other chemical descriptor d.sub.j ; 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.