Retrosynthesis with Attention-Based NMT Model and Chemical Analysis of the "Wrong" Predictions. - Hongliang Duan; Ling Wang; Chengyun Zhang; Jianjun Li (CoRR, 2019)

Outage Performance of Full-Duplex Relay Networks Powered by RF Power Station in Ubiquitous Electric Internet of Things. - Yu Zhang 042; Xiaofei Di; Hongliang Duan; Xi Yang 005; Peng Wu; Baoguo Shan (Wirel. Commun. Mob. Comput., 2021)

From theory to experiment: transformer-based generation enables rapid discovery of novel reactions. - Xinqiao Wang; Chuansheng Yao; Yun Zhang; Jiahui Yu; Haoran Qiao; Chengyun Zhang; Yejian Wu; Renren Bai; Hongliang Duan (J. Cheminformatics, 2022)

Self-Supervised Molecular Pretraining Strategy for Low-Resource Reaction Prediction Scenarios. - Zhipeng Wu; Xiang Cai; Chengyun Zhang; Haoran Qiao; Yejian Wu; Yun Zhang; Xinqiao Wang; Haiying Xie; Feng Luo; Hongliang Duan (J. Chem. Inf. Model., 2022)

Efficient Computational Framework for Target-Specific Active Peptide Discovery: A Case Study on IL-17C Targeting Cyclic Peptides. - Zhipeng Wu; Yejian Wu; Cheng Zhu; Xinyi Wu; Silong Zhai; Xinqiao Wang; Zhihao Su; Hongliang Duan (J. Chem. Inf. Model., 2023)

HighFold: accurately predicting structures of cyclic peptides and complexes with head-to-tail and disulfide bridge constraints. - Chenhao Zhang; Chengyun Zhang; Tianfeng Shang; Ning Zhu; Xinyi Wu; Hongliang Duan (Briefings Bioinform., 2024)

GAPS: a geometric attention-based network for peptide binding site identification by the transfer learning approach. - Cheng Zhu; Chengyun Zhang; Tianfeng Shang; Chenhao Zhang; Silong Zhai; Lujing Cao; Zhenyu Xu; Zhihao Su; Ying Song; An Su; Chengxi Li 002; Hongliang Duan (Briefings Bioinform., 2024)

NanoCon: contrastive learning-based deep hybrid network for nanopore methylation detection. - Chenglin Yin; Ruheng Wang; Jianbo Qiao; Hua Shi; Hongliang Duan; Xinbo Jiang; Saisai Teng; Leyi Wei (Bioinform., 2024)

Transfer learning across different chemical domains: virtual screening of organic materials with deep learning models pretrained on small molecule and chemical reaction data. - Chengwei Zhang; Yushuang Zhai; Ziyang Gong; Hongliang Duan; Yuan-Bin She; Yun-Fang Yang; An Su (J. Cheminformatics, 2024)

Predicting the structures of cyclic peptides containing unnatural amino acids by HighFold2. - Cheng Zhu; Sen Cao; Tianfeng Shang; Jingjing Guo; An Su; Chengxi Li 002; Hongliang Duan (Briefings Bioinform., 2025)

CycleDesigner: Leveraging CycRFdiffusion and HighFold to Design Cyclic Peptide Binders for Specific Targets. - Chenhao Zhang; Zhenyu Xu; Kang Lin; Ning Zhu; Chengyun Zhang; Wen Xu; Jingjing Guo; An Su; Chengxi Li 002; Hongliang Duan (J. Chem. Inf. Model., 2025)