An Interpretable Multitask Framework BiLAT Enables Accurate Prediction of Cyclin-Dependent Protein Kinase Inhibitors. - Xu Qian; Xiaowen Dai; Lin Luo; Mingde Lin; Yuan Xu; Yang Zhao 017; Dingfang Huang; Haodi Qiu; Li Liang; Haichun Liu; Yingbo Liu; Lingxi Gu; et al. (J. Chem. Inf. Model., 2023)

Prediction of Human Liver Microsome Clearance with Chirality-Focused Graph Neural Networks. - Chengtao Pu; Lingxi Gu; Yuxuan Hu; Weijie Han; Xiaohe Xu; Haichun Liu; Yadong Chen 001; Yanmin Zhang (J. Chem. Inf. Model., 2024)

MTGNN: A Drug-Target-Disease Triplet Association Prediction Model Based on Multimodal Heterogeneous Graph Neural Networks and Direction-Aware Metapaths. - Lidan Zheng; Simeng Zhang; Yihao Li; Yang Liu; Qian Ge; Lingxi Gu; Yu Xie; Xiao Wang; Yunfei Ma; Junfei Liu; Mengyi Lu; Yadong Chen 001; et al. (J. Chem. Inf. Model., 2025)