如题 然后我用特征选择的算法 挑选了 号多描述符 但是 我分析不太行 想寻求个大佬的联系方向 虚心请教下！谢谢大佬
谢谢大佬们 这个软件 可以私信的话 私信我下
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
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.
Ziziphus 谢谢大佬 我看看
Ziziphus 主要是想请教下 如果你需要对象的话 我也可以给你想想办法 hhh