Patent ID: 6625546
Filing Date: 2003-09-23
Classification: B01J,C07B,C40B

Abstract:
A method of identifying predicted or actual structures of two or more members of a chemical or physical library, comprising:(a) providing a logical matrix comprising virtual masses of members of a library produced by chemical or physical transformations of an initial set of chemical or physical members, wherein at least one group of the virtual masses comprises masses that correspond to library members having a shared chemical history and wherein two or more of the virtual masses are identical to one another; (b) correlating molecular mass measurements of two or more chemical or physical library members having a shared chemical history with two or more virtual masses in the logical matrix to identify one or more groups of virtual masses that most likely describe chemical or physical transformations undergone by the two or more chemical or physical library members; and, (c) identifying the predicted or actual structures of the two or more chemical or physical library members within the one or more identified groups based on the molecular mass measurements.