Patent ID: 6675136
Filing Date: 2004-01-06
Classification: G16C

Abstract:
A method of mapping a chemical structure of a target type into a target hyper-volume within a model in N-dimensional space comprising a plurality of chemical structures, each chemical structure in said model having an associated set of chemical variables defining its position within said N-dimensional space, each chemical variable having a maximum and minimum value within said model, said method comprising the steps of:a) storing core chemical structure data representing a plurality of core chemical structures of said target type within said target hyper-volume, said target hyper-volume being positioned away from said maximum and minimum values of said chemical variables; b) storing satellite chemical structure data representing a plurality of satellite chemical structures not of said target type positioned outside of said target hyper-volume; c) determining from characteristics of said target chemical structure a position of said target chemical structure within said hyper-volume using the same evaluation criteria as used for said core chemical structures and said satellite chemical structures; d) positioning said target chemical structure within said model relative to said core chemical structures and said satellite chemical structures in accordance with said determined position; and e) generating a user output indicative of said relative position of said target chemical structure.