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SaveShare Save Share Save Generative learning assisted state-of-health estimation for sustainable battery recycling with random retirement conditions
Tao, Shengyu; Ma, Ruifei; Zhao, Zixi; Ma, Guangyuan; Su, Lin; Chang, Heng; Chen, Yuou; Liu, Haizhou; Liang, Zheng; Cao, Tingwei; Ji, Haocheng; Han, Zhiyuan; Lu, Minyan; Yang, Huixiong; Wen, Zongguo; Yao, Jianhua; Yu, Rong; Wei, Guodan; Li, Yang; Zhang, Xuan; Xu, Tingyang; Zhou, Guangmin Share Save Share Save Share Save A dual diffusion model enables 3D molecule generation and lead optimization based on target pocketsHuang, Lei; Xu, Tingyang; Yu, Yang; Zhao, Peilin; Chen, Xingjian; Han, Jing; Xie, Zhi; Li, Hailong; Zhong, Wenge; Wong, Ka-Chun; Zhang, Hengtong Share Save Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug DesignYu, Yang; Huang, Junhong; He, Hu; Han, Jing; Ye, Geyan; Xu, Tingyang; Sun, Xianqiang; Chen, Xiumei; Ren, Xiaoming; Li, Chunlai; Li, Huijuan; Huang, Wei; Liu, Yangyang; Wang, Xinjuan; Gao, Yongzhi; Cheng, Nianhe; Guo, Na; Chen, Xibo; Feng, Jianxia; Hua, Yuxia; Liu, Chong; Zhu, Guoyun; Xie, Zhi; Yao, Lili; Zhong, Wenge; Chen, Xinde; Liu, Wei; Li, Hailong Share Save Share Save Blood-brain barrier penetration prediction enhanced by uncertainty estimationTong, Xiaochu; Wang, Dingyan; Ding, Xiaoyu; Tan, Xiaoqin; Ren, Qun; Chen, Geng; Rong, Yu; Xu, Tingyang; Huang, Junzhou; Jiang, Hualiang; Zheng, Mingyue; Li, Xutong Share Save Share Save Share Save Discovery of Pyrazolo[3,4-d]pyridazinone Derivatives as Selective DDR1 Inhibitors via Deep Learning Based Design, Synthesis, and Biological EvaluationTan, Xiaoqin; Li, Chunpu; Yang, Ruirui; Zhao, Sen; Li, Fei; Li, Xutong; Chen, Lifan; Wan, Xiaozhe; Liu, Xiaohong; Yang, Tianbiao; Tong, Xiaochu; Xu, Tingyang; Cui, Rongrong; Jiang, Hualiang; Zhang, Sulin; Liu, Hong; Zheng, Mingyue Share Save Share Save Share Save Generative Models for De Novo Drug DesignTong, Xiaochu; Liu, Xiaohong; Tan, Xiaoqin; Li, Xutong; Jiang, Jiaxin; Xiong, Zhaoping; Xu, Tingyang; Jiang, Hualiang; Qiao, Nan; Zheng, Mingyue Share Save A Novel Scalarized Scaffold Hopping Algorithm with Graph-Based Variational Autoencoder for Discovery of JAK1 InhibitorsYu, Yang; Xu, Tingyang; Li, Jiawen; Qiu, Yaping; Rong, Yu; Gong, Zhen; Cheng, Xuemin; Dong, Liming; Liu, Wei; Li, Jin; Dou, Dengfeng; Huang, Junzhou Share Save Share Save Share Save Share Save 
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