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      • Chang-Yu Hsieh

      3 results in Chang-Yu Hsieh in Authors: Chang-Yu Hsieh

      Category: Theoretical and Computational Chemistry
      ,
      Working Paper
      , Title:

      Transfer Learning with Graph Neural Networks for Optoelectronic Properties of Conjugated Oligomers

      , Authors: Chee Kong Lee, Chengqiang Lu, Yue Yu, Qiming Sun, Chang-Yu Hsieh, Shengyu Zhang, Qi Liu, Liang Shi

      923
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      1
      Citations
      Category: Organic Chemistry
      ,
      Working Paper
      , Title:

      RetroPrime: A Chemistry-Inspired and Transformer-based Method for Retrosynthesis Predictions

      , Authors: Xiaorui Wang, Jiezhong Qiu, Yuquan Li, Guangyong Chen, Huanxiang Liu, Ben Liao, Chang-Yu Hsieh, Xiaojun Yao

      1,016
      Downloads
      2
      Citations
      Category: Theoretical and Computational Chemistry
      ,
      Working Paper
      , Title:

      MF-SuP-pKa: multi-fidelity modeling with subgraph pooling mechanism for pKa prediction

      , Authors: Jialu Wu, Yue Wan, Zhenxing Wu, Shengyu Zhang, Dongsheng Cao, Chang-Yu Hsieh, Tingjun Hou

      358
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