Introducing block design in graph neural networks for molecular properties prediction
Li, Yuquan, Li, Pengyong, Yang, Xing, Hsieh, Chang-Yu, Zhang, Shengyu, Wang, Xiaorui, Lu, Ruiqiang, Liu, Huanxiang, Yao, Xiaojun
Published in Chemical engineering journal (Lausanne, Switzerland : 1996) (15.06.2021)
Published in Chemical engineering journal (Lausanne, Switzerland : 1996) (15.06.2021)
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Journal Article
Identification of LRRK2 Inhibitors through Computational Drug Repurposing
Tan, Shuoyan, Lu, Ruiqiang, Yao, Dahong, Wang, Jun, Gao, Peng, Xie, Guotong, Liu, Huanxiang, Yao, Xiaojun
Published in ACS chemical neuroscience (01.02.2023)
Published in ACS chemical neuroscience (01.02.2023)
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Journal Article
Improving drug-target affinity prediction via feature fusion and knowledge distillation
Lu, Ruiqiang, Wang, Jun, Li, Pengyong, Li, Yuquan, Tan, Shuoyan, Pan, Yiting, Liu, Huanxiang, Gao, Peng, Xie, Guotong, Yao, Xiaojun
Published in Briefings in bioinformatics (19.05.2023)
Published in Briefings in bioinformatics (19.05.2023)
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Journal Article
3DSGIMD: An accurate and interpretable molecular property prediction method using 3D spatial graph focusing network and structure-based feature fusion
Tian, Yanan, Wang, Chenbin, Lu, Ruiqiang, Tong, Henry H.Y., Gong, Xiaoqing, Qiu, Jiayue, Peng, Shaoliang, Yao, Xiaojun, Liu, Huanxiang
Published in Future generation computer systems (01.12.2024)
Published in Future generation computer systems (01.12.2024)
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Journal Article
Development, validation, and evaluation of a deep learning model to screen cyclin-dependent kinase 12 inhibitors in cancers
Wen, Tingyu, Wang, Jun, Lu, Ruiqiang, Tan, Shuoyan, Li, Pengyong, Yao, Xiaojun, Liu, Huanxiang, Yi, Zongbi, Li, Lixi, Liu, Shuning, Gao, Peng, Qian, Haili, Xie, Guotong, Ma, Fei
Published in European journal of medicinal chemistry (15.03.2023)
Published in European journal of medicinal chemistry (15.03.2023)
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Journal Article
An adaptive graph learning method for automated molecular interactions and properties predictions
Li, 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
Published in Nature machine intelligence (01.07.2022)
Published in Nature machine intelligence (01.07.2022)
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Journal Article
A novel agent bidding based optimization approach in manufacturing planning and scheduling
Ruiqiang Lu, Zhang, D Z
Published in The 40th International Conference on Computers & Indutrial Engineering (01.07.2010)
Published in The 40th International Conference on Computers & Indutrial Engineering (01.07.2010)
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Conference Proceeding
GLAM: An adaptive graph learning method for automated molecular interactions and properties predictions
Li, Yuquan, Chang-Yu, Hsieh, Lu, Ruiqiang, Gong, Xiaoqing, Wang, Xiaorui, li, Pengyong, Liu, Shuo, Tian, Yanan, Jiang, Dejun, Jiaxian Yan, Bai, Qifeng, Liu, Huanxiang, Zhang, Shengyu, Yao, Xiaojun
Published in Nature Machine Intelligence (06.01.2022)
Published in Nature Machine Intelligence (06.01.2022)
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