Patent ID: 7416524

Claim:
A computer implemented method of analyzing a non-enumerated virtual library, comprising: (a) randomly selecting a set of N reagent combinations from the non-enumerated virtual library, wherein said selected N reagent combinations represent a set of N compounds; (b) enumerating said set of N compounds; (c) selecting M compounds from said set of N enumerated compounds wherein the selection of M compounds from said set of N enumerated compounds is based on at least one fitness function; (d) deconvoluting said M compounds into their associated reagent building blocks; (e) generating a focused library of at least one compound based on said building blocks; and (f) enumerating at least one compound in said focused library of at least one compound; (g) selecting from said at least one compound enumerated from said focused library at least one K compound based on said at least one fitness function; and (h) outputting a list of said at least one K compound.