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RESEARCH PAPER · Chemical Physics · 2021

An optimized deep convolutional neural network for yield prediction of Buchwald-Hartwig amination

Yanan Zhao, Xiaochen Liu, Lu Han, Xuefeng Zhu, Tianhang Wang, Gen Luo, Rencheng Zheng, Yi Luo

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Open in your workspace →Saved 2026-10-14 · complete coverage
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An optimized deep convolutional neural network for yield prediction of Buchwald-Hartwig aminationOriginalRegression Prediction of Coupling Reaction Yield Based on Attention-Driven Convolutional Neural Network2ChemCNet: An Explainable Integrated Model for Intelligent Analyzing Chemistry Synthesis Reactions1Design of Polymeric Nickel Catalysts for Suzuki–Miyaura Type Cross–Coupling Reaction Using Machine Learning0Modelling and estimation of chemical reaction yields from high-throughput experiments0Ultrathin Microporous Interlayer in a Membrane Electrode Assembly Cell for Efficient and Scalable Electroreduction of CO 2 to Formate1

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  1. Regression Prediction of Coupling Reaction Yield Based on Attention-Driven Convolutional Neural Network

    match Communications in Mathematical and in Computer Chemistry · 2022-08-01

    Hexun Hou, Hengzhe Wang, Yanhui Guo, Puyu Zhang, Lichao Peng, Xiaohui Yang

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  2. ChemCNet: An Explainable Integrated Model for Intelligent Analyzing Chemistry Synthesis Reactions

    match Communications in Mathematical and in Computer Chemistry · 2023-10-01

    Lanfeng Wang, Hengzhe Wang, Shuoshi Liu, Zixin Li, Yaping Yu, Yun Chai, Xiaohui Yang

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  3. Design of Polymeric Nickel Catalysts for Suzuki–Miyaura Type Cross–Coupling Reaction Using Machine Learning

    ACS Applied Polymer Materials · 2025-11-10

    Sho Takaoka, Zhenzhong Zhang, Yoichi M. A. Yamada, Hiromasa Kaneko

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  4. Modelling and estimation of chemical reaction yields from high-throughput experiments

    Communications Chemistry · 2026-01-03

    Tatyana Krivobokova, Razvan-Andrei Morariu, Gianluca Finocchio, Boris Maryasin

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  5. Ultrathin Microporous Interlayer in a Membrane Electrode Assembly Cell for Efficient and Scalable Electroreduction of CO 2 to Formate

    ACS Energy Letters · 2026-04-08

    Sukhwa Hong, Paul J. A. Kenis

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