Blood-brain barrier penetration prediction enhanced by uncertainty estimation. - Xiaochu Tong; Dingyan Wang; Xiaoyu Ding; Xiaoqin Tan; Qun Ren; Geng Chen; Yu Rong 001; Tingyang Xu; Junzhou Huang; Hualiang Jiang; Mingyue Zheng; Xutong Li (J. Cheminformatics, 2022)

MolFilterGAN: a progressively augmented generative adversarial network for triaging AI-designed molecules. - Xiaohong Liu 002; Wei Zhang; Xiaochu Tong; Feisheng Zhong; Zhaojun Li; Zhaoping Xiong; Jiacheng Xiong; Xiaolong Wu; Zunyun Fu; Xiaoqin Tan; Zhiguo Liu; Sulin Zhang; et al. (J. Cheminformatics, 2023)

LogD7.4 prediction enhanced by transferring knowledge from chromatographic retention time, microscopic pKa and logP. - Yitian Wang; Jiacheng Xiong; Fu Xiao; Wei Zhang; Kaiyang Cheng; Jingxin Rao; Buying Niu; Xiaochu Tong; Ning Qu; Runze Zhang; Dingyan Wang; Kaixian Chen; et al. (J. Cheminformatics, 2023)

Tora3D: an autoregressive torsion angle prediction model for molecular 3D conformation generation. - Zimei Zhang; Gang Wang; Rui Li; Lin Ni; Runze Zhang; Kaiyang Cheng; Qun Ren; Xiangtai Kong; Shengkun Ni; Xiaochu Tong; Li Luo; Dingyan Wang; et al. (J. Cheminformatics, 2023)

KinomeMETA: meta-learning enhanced kinome-wide polypharmacology profiling. - Qun Ren; Ning Qu; Jingjing Sun; Jingyi Zhou; Jin Liu; Lin Ni; Xiaochu Tong; Zimei Zhang; Xiangtai Kong; Yiming Wen; Yitian Wang; Dingyan Wang; et al. (Briefings Bioinform., 2024)

TG468: a text graph convolutional network for predicting clinical response to immune checkpoint inhibitor therapy. - Kun Wang; Jiangshan Shi; Xiaochu Tong; Ning Qu; Xiangtai Kong; Shengkun Ni; Jing Xing; Xutong Li; Mingyue Zheng (Briefings Bioinform., 2024)

miCGR: interpretable deep neural network for predicting both site-level and gene-level functional targets of microRNA. - Xiaolong Wu; Lehan Zhang; Xiaochu Tong; Yitian Wang; Zimei Zhang; Xiangtai Kong; Shengkun Ni; Xiaomin Luo; Mingyue Zheng; Yun Tang 001; Xutong Li (Briefings Bioinform., 2024)