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模仿自然界生物进化而发展起来的进化算法是一种启发式优化算法,以其独特新颖的思路成功应用于多领域的优化处理.笔者对进化算法在定量构效关系研究中的应用进行了综述.
The evolutionary algorithm, which imitates the evolution of biology in nature, is a heuristic optimization algorithm that has been successfully applied in many fields for its unique and novel ideas. The author summarizes the application of evolutionary algorithm in the quantitative structure-activity relationship.