Patent ID: 6295514
Filing Date: 2001-09-25
Classification: B01J,C40B,G06K,G06T,G16C

Abstract:
A method for representing similarity/dissimilarity between compounds, comprising the steps of:(1) generating an initial configuration of objects for display on a graphics device, the objects representing a plurality of compounds, each object having an initial set of coordinates;(2) selecting a subset of compounds from the plurality of compounds;(3) refining the coordinates of at least one object that represents a selected compound based on the coordinates of the at least one object, the coordinates of a second object, and a distance between the at least one and second objects so that a distance between the refined coordinates of the at least one object and the coordinates of the second object is more representative of the similarity/dissimilarity of the compounds;(4) repeating steps (2) and (3) for additional subsets of compounds; and(5) displaying at least some of the objects on the graphics device.