定量结构和性质关系（QSPR）在结构优化中起着重要的作用，它通过优化选择最可能的样本从而减少了化合物合成的数量。该文的目的是介绍QSPR的发展概况，为开发新药提供信息。综述了构建QSPR的方法，分别从分子结构的相关描述子，性质的信息数据，和两者间有意义的连接三个方面进行了讨论。
Abstract
Quantitative structure-property relationship(QSPR) plays a important role in lead structure optimization. It decreases the number of compounds synthesized by facilitating the selection of the most promising examples. The purpose of this paper is to provide a broad overview of the development of QSPR, which will be very useful for development of novel pharmaceuticals. The components involved in the construction of QSPR are reviewed, including discussed various types of structural descriptors and properties, together with techniques to establish correlations between the two.
关键词
定量结构和性质关系；结构描述子
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Key words
Quantitative structure-property relationship;Structural descriptors
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