Ziziphus 推荐一篇文章，教你如何选取QSAR描述符的，ADMET同理：Descriptors and their selection methods in QSAR analysis: paradigm for drug design 这篇文章的亮点如下： 介绍了许多新的描述符，并给出了描述符的方法 介绍了多种QSAR描述符的选取方法，ADMET同理，并介绍了各种方法的优缺点 介绍了以不同选取方法成功开展的研究 附论文摘要： The screening of chemical libraries with traditional methods, such as high-throughput screening (HTS), is expensive and time consuming. Quantitative structure–activity relation (QSAR) modeling is an alternative method that can assist in the selection of lead molecules by using the information from reference active and inactive compounds. This approach requires good molecular descriptors that are representative of the molecular features responsible for the relevant molecular activity. The usefulness of these descriptors in QSAR studies has been extensively demonstrated, and they have also been used as a measure of structural similarity or diversity. In this review, we provide a brief explanation of descriptors and the selection approaches most commonly used in QSAR experiments. In addition, some studies have also demonstrated the positive influence of features selection for any drug development model.