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综述了三维定量构效关系研究的最新进展，重点介绍了取向规则、分子表示、关系模型的建立及基于结构的设计等方面内容。认为基于结构的设计与三维定量构效关系相结合，可望得到更好的预测结果。
The recent progress in the study of the quantitative structure-activity relationship of three-dimensional structures is reviewed. The aspects of orientation rules, molecular representations, establishment of relational models and structure-based design are emphasized. It is believed that the combination of structure-based design and three-dimensional quantitative structure-activity relationship can lead to better predictions.