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Chang‐Yu Hsieh

college of pharmaceutical sciences

39H-index
236Paper Count
8.1KCitation Count
Published Papers 114
Publication Date
Revisiting ADMET prediction reliability under real-world challenges in the foundation model era
err2026-05-18
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errOAAI
errDonghai Zhao; Yuchen Zhu; Zhenxing Wu; Yue Wan; Xiaonan Liu; Shuaiyan Li; Hongxia Xu; Tingjun Hou; Chang-Yu Hsieh
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Learning the PTM code through a coarse-to-fine mechanism-aware framework
err2026-05-15
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errOAAI
errJingjie Zhang; Hanqun Cao; Zijun Gao; Yu Wang; Shaoning Li; Jun Xu; Cheng Tan; Jun Zhu; Chang-Yu Hsieh; Chunbin Gu; Pheng Ann Heng
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Agentic Robotic Boxes for Perovskite Solar Cell Fabrication with Recipe Language Model
err2026-04-08
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errOAAI
errZijian Chen; Wenjin Yu; Chuang Wu; Feibei Chen; Zixuan Wang; Chao Zhou; Yimeng You; Shaojie Li; Qiyuan Zhu; Ning Ma; Yao Sun; Donghui Li; Billy Fanady; Shengchou Jiang; Zhongliang Yan; Shumin Zhou; Liang Li; Chang-Yu Hsieh; Yang Bai; Lixin Xiao
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Modelling drug-induced cellular perturbation responses with a biologically informed dual-branch transformer
err2026-01-26
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errOAAI
errYue Guo; Hao Zhang; Haitao Hu; Jialu Wu; Ji Cao; Chang-Yu Hsieh; Bo Yang
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Unlocking the application potential of AlphaFold3-like approaches in virtual screening
err2025-12-11
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errOAAI
errChao Shen; Xujun Zhang; Shukai Gu; Odin Zhang; Qinghan Wang; Gang Du; Yihao Zhao; Linlong Jiang; Peichen Pan; Yu Kang; Qingwei Zhao; Chang-Yu Hsieh; Tingjun Hou
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A virtual platform for automated hybrid organic-enzymatic synthesis planning
err2025-11-26
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errOAAI
errXiaorui Wang; Xiaodan Yin; Xujun Zhang; Huifeng Zhao; Shukai Gu; Zhenxing Wu; Odin Zhang; Wenjia Qian; Yuansheng Huang; Yuquan Li; Dejun Jiang; Mingyang Wang; Huanxiang Liu; Xiaojun Yao; Chang-Yu Hsieh; Tingjun Hou
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mRNABERT: advancing mRNA sequence design with a universal language model and comprehensive dataset
err2025-11-24
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errOAAI
errYing Xiong; Aowen Wang; Yu Kang; Chao Shen; Chang-Yu Hsieh; Tingjun Hou
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SynGFN: learning across chemical space with generative flow-based molecular discovery
err2025-11-13
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PREAI
errYuchen Zhu; Shuwang Li; Jihong Chen; Donghai Zhao; Xiaorui Wang; Yitong Li; Yifei Liu; Yue Kong; Beichen Zhang; Chang Liu; Tingjun Hou; Chang-Yu Hsieh
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ECloudGen: leveraging electron clouds as a latent variable to scale up structure-based molecular design
err2025-10-15
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PREAI
errOdin Zhang; Jieyu Jin; Zhenxing Wu; Jintu Zhang; Po Yuan; Yuntao Yu; Haitao Lin; Haiyang Zhong; Xujun Zhang; Chenqing Hua; Weibo Zhao; Zhengshuo Zhang; Kejun Ying; Yufei Huang; Huifeng Zhao; Yu Kang; Peichen Pan; Jike Wang; Dong Guo; Shuangjia Zheng; Chang-Yu Hsieh; Tingjun Hou
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Harnessing deep statistical potential for biophysical scoring of protein-peptide interactions
err2025-10-01
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PREAI
errDe-jun Jiang; Hui-feng Zhao; Hong-yan Du; Yu Kang; Pei-chen Pan; Zhen-xing Wu; Yun-dian Zeng; O-din Zhang; Xiao-rui Wang; Ji-ke Wang; Yuan-sheng Huang; Yi-hao Zhao; Chang-Yu Hsieh; Dong-sheng Cao; Hui-yong Sun; Ting-jun Hou
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Graph Neural Networks in Modern AI-Aided Drug Discovery
err2025-09-17
err0
PREAI
errOdin Zhang; Haitao Lin; Xujun Zhang; Xiaorui Wang; Zhenxing Wu; Qing Ye; Weibo Zhao; Jike Wang; Kejun Ying; Yu Kang; Chang-Yu Hsieh; Tingjun Hou
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Interpretable PROTAC Degradation Prediction With Structure-Informed Deep Ternary Attention Framework
err2025-09-01
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errOAAI
errChen, Zhenglu; Gu, Chunbin; Tan, Shuoyan; Wang, Xiaorui; Li, Yuquan; He, Mutian; Lu, Ruiqiang; Sun, Shijia; Hsieh, Chang-Yu; Yao, Xiaojun; Liu, Huanxiang; Heng, Pheng-Ann
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RSGPT: a generative transformer model for retrosynthesis planning pre-trained on ten billion datapoints
err2025-07-31
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errOAAI
errYafeng Deng; Xinda Zhao; Hanyu Sun; Yu Chen; Xiaorui Wang; Xi Xue; Liangning Li; Jianfei Song; Chang-Yu Hsieh; Tingjun Hou; Xiandao Pan; Taghrid Saad Alomar; Xiangyang Ji; Xiaojian Wang
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DGMM: A Deep Learning-Genetic Algorithm Framework for Efficient Lead Optimization in Drug Discovery
err2025-07-30
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PREAI
errJiebin Fang; Churu Mao; Yuchen Zhu; Xiaoming Chen; Yun Huang; Wanjing Ding; Chang-Yu Hsieh; Zhongjun Ma
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HiCLR: Knowledge-Induced Hierarchical Contrastive Learning with Retrosynthesis Prediction Yields a Reaction Foundation Model
errJACS Au
IF8.7
err2025-06-25
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errOAAI
errJialu Wu; Yiheng Zhu; Xiaorui Wang; Yitong Li; Mingze Yin; Tianyue Wang; Yuqiang Han; Yu Kang; Yafeng Deng; Jian Wu; Chang-Yu Hsieh; Tingjun Hou
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ChargeNet: E(3) Equivariant Graph Attention Network for Atomic Charge Prediction
err2025-06-18
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PREAI
errQiaolin Gou; Qun Su; Jike Wang; Hui Zhang; Huiyong Sun; Xujun Zhang; Linlong Jiang; Meijing Fang; Yu Kang; Huanxiang Liu; Tingjun Hou; Chang-Yu Hsieh
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A Multi-Objective Molecular Generation Method Based on Pareto Algorithm and Monte Carlo Tree Search
err2025-04-04
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errOAAI
errLiu, YF; Zhu, YH; Wang, JK; Hu, RL; Shen, C; Qu, WL; Wang, G; Su, Q; Zhu, YC; Kang, Y; Pan, PC; Hsieh, CY; Hou, TJ
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AI-Guided Design of Antimicrobial Peptide Hydrogels for Precise Treatment of Drug-resistant Bacterial Infections
err2025-03-30
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PREAI
errJiang, ZH; Feng, JW; Wang, F; Wang, JK; Wang, NT; Zhang, MM; Hsieh, CY; Hou, TJ; Cui, WG; Ma, LM
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A Knowledge-Guided Graph Learning Approach Bridging Phenotype- and Target-Based Drug Discovery
err2025-03-06
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errOAAI
errYe, Q; Zeng, YD; Jiang, LL; Kang, Y; Pan, PC; Chen, JM; Deng, YF; Zhao, HT; He, SB; Hou, TJ; Hsieh, CY
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