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SaveBridging chemistry and artificial intelligence by a reaction description language
Xiong, Jiacheng; Zhang, Wei; Wang, Yinquan; Huang, Jiatao; Shi, Yuqi; Xu, Mingyan; Li, Manjia; Fu, Zunyun; Kong, Xiangtai; Wang, Yitian; Xiong, Zhaoping
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SavemiCGR: interpretable deep neural network for predicting both site-level and gene-level functional targets of microRNA
Wu, Xiaolong; Zhang, Lehan; Tong, Xiaochu; Wang, Yitian; Zhang, Zimei; Kong, Xiangtai; Ni, Shengkun; Luo, Xiaomin; Zheng, Mingyue; Tang, Yun; Li, Xutong
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SaveDiscovery of Imidazo[1,2-a]pyrazine Derivatives as Potent ENPP1 Inhibitors
Zhan, Shiping; Zhang, Yingying; Cao, Tian; Yang, Ruirui; Wang, Qiang; Huang, Lin; Cui, Rongrong; Yu, Jie; Meng, Haifang; Wang, Yitian; Zhang, Sulin; Zheng, Mingyue; Wu, Xiaowei
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SaveIdentifying compound-protein interactions with knowledge graph embedding of perturbation transcriptomics
Ni, Shengkun; Kong, Xiangtai; Zhang, Yingying; Chen, Zhengyang; Wang, Zhaokun; Fu, Zunyun; Huo, Ruifeng; Tong, Xiaochu; Qu, Ning; Wu, Xiaolong; Wang, Kun; Zhang, Wei; Zhang, Runze; Zhang, Zimei; Shi, Jiangshan; Wang, Yitian; Yang, Ruirui; Li, Xutong; Zhang, Sulin; Zheng, Mingyue
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SaveIn silico off-target profiling for enhanced drug safety assessment
Liu, Jin; Gui, Yike; Rao, Jingxin; Sun, Jingjing; Wang, Gang; Ren, Qun; Qu, Ning; Niu, Buying; Chen, Zhiyi; Sheng, Xia; Wang, Yitian; Zheng, Mingyue; Li, Xutong
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SaveApplication of ensemble learning for predicting GABAA receptor agonists
Xiao, Fu; Ding, Xiaoyu; Shi, Yan; Wang, Dingyan; Wang, Yitian; Cui, Chen; Zhu, Tingfei; Chen, Kaixian; Xiang, Ping; Luo, Xiaomin
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SaveFine-tuning large language models for chemical text mining
Zhang, Wei; Wang, Qinggong; Kong, Xiangtai; Xiong, Jiacheng; Ni, Shengkun; Cao, Duanhua; Niu, Buying; Chen, Mingan; Li, Yameng; Zhang, Runze; Wang, Yitian; Zhang, Lehan; Li, Xutong; Xiong, Zhaoping; Shi, Qian; Huang, Ziming; Fu, Zunyun; Zheng, Mingyue
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SaveKinomeMETA: meta-learning enhanced kinome-wide polypharmacology profiling
Ren, Qun; Qu, Ning; Sun, Jingjing; Zhou, Jingyi; Liu, Jin; Ni, Lin; Tong, Xiaochu; Zhang, Zimei; Kong, Xiangtai; Wen, Yiming; Wang, Yitian; Wang, Dingyan; Luo, Xiaomin; Zhang, Sulin; Zheng, Mingyue; Li, Xutong
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SaveLogD7.4 prediction enhanced by transferring knowledge from chromatographic retention time, microscopic pKa and logP
Wang, Yitian; Xiong, Jiacheng; Xiao, Fu; Zhang, Wei; Cheng, Kaiyang; Rao, Jingxin; Niu, Buying; Tong, Xiaochu; Qu, Ning; Zhang, Runze; Wang, Dingyan; Chen, Kaixian; Li, Xutong; Zheng, Mingyue
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SaveAutophagy inhibitor enhance ZnPc/BSA nanoparticle induced photodynamic therapy by suppressing PD-L1 expression in osteosarcoma immunotherapy
Yu, Wei; Wang, Yitian; Zhu, Jian; Jin, Libin; Liu, Bing; Xia, Kaishun; Wang, Junjie; Gao, Jianqing; Liang, Chengzhen; Tao, Huimin
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