Skip to main content
. 2024 Apr 2;16(4):572–588. doi: 10.1016/j.chmed.2023.09.008

Table 4.

Partial drug-target interaction prediction techniques.

Categories Methods Drugs References
Ligand-based SEA Chenxiang essential oil Wang et al., 2019, Wang et al., 2019
Peach kernel-safflower Han et al., 2021, Han et al., 2021
TTD Chang Fu Kang Jia, Yang, & Sun, 2020
Qing Fei Yin Wang et al., 2022, Wang et al., 2022, Wang et al., 2022, Wang et al., 2022, Wang et al., 2022, Wang et al., 2022
Target-based Reverse molecular docking Quercetin Xu et al., 2022, Xu et al., 2022
Avicularin Duan, Li, Dong, Xu, & Ma, 2019
Machine learning Principal component analysis Xuefu Zhuyu Decoction Song, Sun, Wu, & Wang, 2020
SVM Wogonin Wang et al., 2021, Wang et al., 2021
RF Chuanxiong Rhizoma Yuan, Li, Chen, Song, & Wang, 2014
QSAR LCFs Hu et al., 2022
Evodiae Fructus Chen and Han, 2022, Chen and Cui, 2022
Combined SVM, RF, AutoDOCK Yu Jin Formula Tao et al., 2013
SVM, RF, AutoDOCK Glycyrrhizae Radix et Rhizoma Liu, Wang, Zhou, Wang, & Yang, 2013
TTD, SEA Curcumae Radix, Corn Stigma Zhang et al., 2022, Zhang et al., 2022, Zhang et al., 2022, Zhang et al., 2022
SEA, Swiss target prediction, AutoDOCK Polygoni Cuspidati Rhizoma et Radix Shan, Ji, Wu, & Zhao, 2022