Multi-channel learning for integrating structural hierarchies into context-dependent molecular representation by Yue Wan, Jialu Wu, Tingjun Hou, Chang-Yu Hsieh, Xiaowei Jia

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Integration of molecular coarse-grained model into geometric representation learning framework for protein-protein complex property prediction by Yang Yue, Shu Li, Yihua Cheng, Lie Wang, Tingjun Hou, Zexuan Zhu, Shan He

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ADMET evaluation in drug discovery: 21. Application and industrial validation of machine learning algorithms for Caco-2 permeability prediction by Dong Wang, Jieyu Jin, Guqin Shi, Jingxiao Bao, Zheng Wang, Shimeng Li, Peichen Pan, Dan Li, Yu Kang, Tingjun Hou

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Biochemical and Functional Characterization of <i>E. coli</i> Aminopeptidase N: A New Role as a 6-Monoacetylmorphine Hydrolase by Xiabin Chen, Yishuang Li, Jianzhuang Yao, Xiaoxuan Li, Hualing Li, Zelin Wu, Qi Hu, Nuo Xu, Tingjun Hou, Jiye Wang, Shurong Hou

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Multi-Modal CLIP-Informed Protein Editing by Mingze Yin, Hanjing Zhou, Yiheng Zhu, Miao Lin, Yixuan Wu, Jialu Wu, Hongxia Xu, Chang-Yu Hsieh, Tingjun Hou, Jintai Chen, Jian Wu

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A Knowledge‐Guided Graph Learning Approach Bridging Phenotype‐ and Target‐Based Drug Discovery by Qing Ye, Yundian Zeng, Linlong Jiang, Yu Kang, Peichen Pan, Jiming Chen, Yafeng Deng, Haitao Zhao, Shibo He, Tingjun Hou, Chang‐Yu Hsieh

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HiCLR: Knowledge-Induced Hierarchical Contrastive Learning with Retrosynthesis Prediction Yields a Reaction Foundation Model by Jialu 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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A Multi‐Objective Molecular Generation Method Based on Pareto Algorithm and Monte Carlo Tree Search by Yifei Liu, Yiheng Zhu, Jike Wang, Renling Hu, Chao Shen, Wanglin Qu, Gaoang Wang, Qun Su, Yuchen Zhu, Yu Kang, Peichen Pan, Chang‐Yu Hsieh, Tingjun Hou

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Syn-MolOpt: a synthesis planning-driven molecular optimization method using data-derived functional reaction templates by Xiaodan Yin, Xiaorui Wang, Zhenxing Wu, Qin Li, Yu Kang, Yafeng Deng, Pei Luo, Huanxiang Liu, Guqin Shi, Zheng Wang, Xiaojun Yao, Chang-Yu Hsieh, Tingjun Hou

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Linker-free PROTACs efficiently induce the degradation of oncoproteins by Jianchao Zhang, Congli Chen, Xiao Chen, Kefan Liao, Fengming Li, Xiaoxiao Song, Chaowei Liu, Ming-Yuan Su, Huiyong Sun, Tingjun Hou, Chris Soon Heng Tan, Lijing Fang, Hai Rao

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RSGPT: a generative transformer model for retrosynthesis planning pre-trained on ten billion datapoints by Yafeng 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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ClickGen: Directed exploration of synthesizable chemical space via modular reactions and reinforcement learning by Mingyang Wang, Shuai Li, Jike Wang, Odin Zhang, Hongyan Du, Dejun Jiang, Zhenxing Wu, Yafeng Deng, Yu Kang, Peichen Pan, Dan Li, Xiaorui Wang, Xiaojun Yao, Tingjun Hou, Chang-Yu Hsieh

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Token-Mol 1.0: tokenized drug design with large language models by Jike Wang, Rui Qin, Mingyang Wang, Meijing Fang, Yangyang Zhang, Yuchen Zhu, Qun Su, Qiaolin Gou, Chao Shen, Odin Zhang, Zhenxing Wu, Dejun Jiang, Xujun Zhang, Huifeng Zhao, Jingxuan Ge, Zhourui Wu, Yu Kang, Chang-Yu Hsieh, Tingjun Hou

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