Library design in combinatorial chemistry by Monte Carlo methods.
Strategies for searching the space of variables in combinatorial chemistry experiments are presented, and a random energy model of combinatorial chemistry experiments is introduced. The search strategies, derived by analogy with the computer modeling technique of Monte Carlo, effectively search the variable space even in combinatorial chemistry experiments of only modest size. Efficient implementations of the library design and redesign strategies are feasible with current experimental capabilities.
Falcioni
M
M
Chemical Engineering Department, University of California, Los Angeles 90095-1592, USA.
Deem
M W
MW
D020650:Combinatorial Chemistry Techniques; D019992:Databases as Topic; D009010:Monte Carlo Method