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cond-mat.stat-mech2000★ 1 cited
A Statistical Mechanical Approach to Combinatorial Chemistry
Michael W. Deem
An analogy between combinatorial chemistry and Monte Carlo computer simulation is pursued. Examples of how to design libraries for both materials discovery and protein molecular ev…
cond-mat.stat-mech2000★ 17 cited
Library Design in Combinatorial Chemistry by Monte Carlo Methods
Marco Falcioni, Michael W. Deem
Strategies for searching the space of variables in combinatorial chemistry experiments are presented, and a random energy model of combinatorial chemistry experiments is introduced…