SYSTEM AND METHORD FOR COMBINATORIAL LIBRARY DESIGN

摘要

The present invention relates to the design of libraries, such as combinatorial libraries, which may be used in the discovery of novel potentially useful compounds. The invention operates on a population of libraries that is refined iteratively. The refinement involves the following steps: calculating the relative dominance of the libraries in the population; selecting libraries for modification according to dominance; modifying the selected libraries using genetic operators; and inserting the modified libraries back in the population. The refinement steps are repeated until adequate convergence is deemed to have occurred or for a specified number of iterations. The Pareto optimal set of libraries in the final population is output for further processing such as storage or manufacture.