Chemical space exploration based on recurrent neural networks: applications in discovering kinase inhibitors. - Xuanyi Li; Yinqiu Xu; Hequan Yao; Kejiang Lin (J. Cheminformatics, 2020)

Discovery of Covalent Lead Compounds Targeting 3CL Protease with a Lateral Interactions Spiking Neural Network. - Zhihao Gu; Yong Yan; Hanwen Liu; Di Wu; Hequan Yao; Kejiang Lin; Xuanyi Li (J. Chem. Inf. Model., 2024)