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Yuquan Li

college of computer science and technology

12H-index
44Paper Count
636Citation Count
Published Papers 20
Publication Date
AI for science: Progress, challenges, and perspectives
err2026-08-05
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errOAAI
errYongjun Xu; Zezhi Shao; Xin Liu; Yuquan Li; Zhulin An; Chenguang Fu; Changping Huang; Lin Zhang; Feng Gao; Jian Li; Yuyang Li; Fanglong Yao; Anquan Xia; Kaihua Chen; Xiaolong Zheng; Chuanguang Yang; Libo Huang; Fengliang Dong; Shanliang Yao; Zhao Zhang
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A hierarchical interaction message net for accurate molecular property prediction
err2026-02-14
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errOAAI
errHuiyang Hong; Xinkai Wu; Hongyu Sun; Chaoyang Xie; Qi Wang; Yuquan Li
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Spectral Decomposition of Chemical Semantics for Activity Cliffs-Aware Molecular Property Prediction
err2026-02-03
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errOAAI
errChaoyang Xie; Junhu Xu; Guangyi Huang; Shihang Wang; Mutian He; Xinyu Dong; Huiyang Hong; Xiaojun Yao; Qi Wang; Yuquan Li
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Enhancing kinase-inhibitor activity and selectivity prediction through contrastive learning
err2025-12-03
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errYanan Tian; Ruiqiang Lu; Xiaoqing Gong; Wei Zhao; Yuquan Li; Xiaorui Wang; Xinming Jia; Qin Li; Yuwei Yang; Henry H. Y. Tong; Joel P. Arrais; Xiaojun Yao; Huanxiang Liu
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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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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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Interface-aware molecular generative framework for protein-protein interaction modulators
err2024-12-20
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errWang, Jianmin; Mao, Jiashun; Li, Chunyan; Xiang, Hongxin; Wang, Xun; Wang, Shuang; Wang, Zixu; Chen, Yangyang; Li, Yuquan; No, Kyoung Tai; Song, Tao; Zeng, Xiangxiang
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Multi-modal deep learning enables efficient and accurate annotation of enzymatic active sites
err2024-08-27
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errOAAI
errWang, Xiaorui; Yin, Xiaodan; Jiang, Dejun; Zhao, Huifeng; Wu, Zhenxing; Zhang, Odin; Wang, Jike; Li, Yuquan; Deng, Yafeng; Liu, Huanxiang; Luo, Pei; Han, Yuqiang; Hou, Tingjun; Yao, Xiaojun; Hsieh, Chang-Yu
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Versatile Framework for Drug-Target Interaction Prediction by Considering Domain-Specific Features
err2024-07-08
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errOAAI
errLiu, Shuo; Yu, Jialiang; Ni, Ningxi; Wang, Zidong; Chen, Mengyun; Li, Yuquan; Xu, Chen; Ding, Yahao; Zhang, Jun; Yao, Xiaojun; Liu, Huanxiang
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CODD-Pred: A Web Server for Efficient Target Identification and Bioactivity Prediction of Small Molecules
err2023-10-11
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PREAI
errYin, Xiaodan; Wang, Xiaorui; Li, Yuquan; Wang, Jike; Wang, Yuwei; Deng, Yafeng; Hou, Tingjun; Liu, Huanxiang; Luo, Pei; Yao, Xiaojun
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Improving drug-target affinity prediction via feature fusion and knowledge distillation
err2023-04-25
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errOAAI
errLu, Ruiqiang; Wang, Jun; Li, Pengyong; Li, Yuquan; Tan, Shuoyan; Pan, Yiting; Liu, Huanxiang; Gao, Peng; Xie, Guotong; Yao, Xiaojun
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Generic Interpretable Reaction Condition Predictions with Open Reaction Condition Datasets and Unsupervised Learning of Reaction Center
errRESEARCH
IF10.7
err2023-01-01
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errOAAI
errWang, Xiaorui; Hsieh, Chang-Yu; Yin, Xiaodan; Wang, Jike; Li, Yuquan; Deng, Yafeng; Jiang, Dejun; Wu, Zhenxing; Du, Hongyan; Chen, Hongming; Li, Yun; Liu, Huanxiang; Wang, Yuwei; Luo, Pei; Hou, Tingjun; Yao, Xiaojun
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An adaptive graph learning method for automated molecular interactions and properties predictions
err2022-06-23
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errLi, Yuquan; Hsieh, Chang-Yu; Lu, Ruiqiang; Gong, Xiaoqing; Wang, Xiaorui; li, Pengyong; Liu, Shuo; Tian, Yanan; Jiang, Dejun; Yan, Jiaxian; Bai, Qifeng; Liu, Huanxiang; Zhang, Shengyu; Yao, Xiaojun
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Out-of-the-box deep learning prediction of quantum-mechanical partial charges by graph representation and transfer learning
err2022-01-22
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PREAI
errJiang, Dejun; Sun, Huiyong; Wang, Jike; Hsieh, Chang-Yu; Li, Yuquan; Wu, Zhenxing; Cao, Dongsheng; Wu, Jian; Hou, Tingjun
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RetroPrime: A Diverse, plausible and Transformer-based method for Single-Step retrosynthesis predictions
err2021-09-01
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PREAI
errWang, Xiaorui; Li, Yuquan; Qiu, Jiezhong; Chen, Guangyong; Liu, Huanxiang; Liao, Benben; Hsieh, Chang-Yu; Yao, Xiaojun
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Introducing block design in graph neural networks for molecular properties prediction
err2021-06-01
err22
PREAI
errLi, Yuquan; Li, Pengyong; Yang, Xing; Hsieh, Chang-Yu; Zhang, Shengyu; Wang, Xiaorui; Lu, Ruiqiang; Liu, Huanxiang; Yao, Xiaojun
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TrimNet: learning molecular representation from triplet messages for biomedicine
err2020-11-04
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PREAI
errLi, Pengyong; Li, Yuquan; Hsieh, Chang-Yu; Zhang, Shengyu; Liu, Xianggen; Liu, Huanxiang; Song, Sen; Yao, Xiaojun
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Synthesis of a Novel Series of Amino Acid Prodrugs Based on Thienopyridine Scaffolds and Evaluation of Their Antiplatelet Activity
err2018-04-28
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errOAAI
errLu, Nan; Li, Lingjun; Zheng, Xuemin; Zhang, Shijun; Li, Yuquan; Yuan, Jing; Wei, Qunchao; Xu, Youjun; Meng, Fancui
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Discovery of Novel Isoxazoline Derivatives Containing Benzamide with High Insecticidal Activity
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PREAI
errTingting Ma; Yong Shi; Zhangyan Feng; Wishwajith Kandegama; Pradeepa C. G. Gunathilake; Yuquan Li; Gefei Hao; Biaobiao Jiang; Yawen Dong
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