Library design in combinatorial chemistry by Monte Carlo methods

被引：13

作者：

Falcioni, M ^{[1
]}

Deem, MW ^{[1
]}

机构：

[1] Univ Calif Los Angeles, Dept Chem Engn, Los Angeles, CA 90095 USA

来源：

PHYSICAL REVIEW E | 2000年 / 61卷 / 05期

关键词：

D O I：

10.1103/PhysRevE.61.5948

中图分类号：

O35 [流体力学]; O53 [等离子体物理学];

学科分类号：

070204 [等离子体物理]; 080103 [流体力学]; 080704 [流体机械及工程];

摘要：

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.

引用

页码：5948 / 5952

页数：5

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