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RESEARCH PAPER · Macromolecules · 2025

Designing Multicomponent Thermosetting Resins through Machine Learning and High-Throughput Screening

Wenlin Zhao, Xinyao Xu, Haoxiang Lan, Liquan Wang, Jiaping Lin, Lei Du, Chongyin Zhang, Xiaohui Tian

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Designing Multicomponent Thermosetting Resins through Machine Learning and High-Throughput ScreeningOriginalReverse Design of High Strength and High Modulus Epoxy Resin Systems Through Computational Modeling with Experimental Validation2Machine learning assisted prediction for the coefficient of thermal expansion of binary crystals25Machine learning-based structural analysis of OATP1B1 interactors/non-interactors: Discriminating toxic and non-toxic alerts for transporter-mediated toxicity2Machine Learning-Guided Design of Bio-Based Furan-Containing Polyimides with Tunable Dielectric Properties7Data-efficient Machine Learning for Polymer Informatics11AI‐Assisted Design of Advanced Polymeric Materials: Challenges and Solutions25Development of Disulfide Epoxy Vitrimers via Transfer Learning: Bridging the Gap between Excellent Comprehensive Properties and Dynamic Cross-Linking Networks5Towards an artificial intelligence ecosystem for performance-driven polymer design1Machine Learning for Reactive Structural Adhesive Design: A Framework for Chemistry, Formulation, and Optimization0AI‐Assisted Design of 2D‐Material Electrode for Next‐Generation Wearable Aqueous Zinc Batteries1Chemically Informed Machine Learning Approach for Prediction of Reactivity Ratios in Radical Copolymerization0

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11 direct citing papers saved.

  1. Reverse Design of High Strength and High Modulus Epoxy Resin Systems Through Computational Modeling with Experimental Validation

    Polymers · 2025-04-29

    Yilin Tang, Shipeng Zhu, Boya Zhang, Haozhong Lv, Jingshu Wu, Yunhua Yang, Ben Zhang, Jianli Gao

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  2. Machine learning assisted prediction for the coefficient of thermal expansion of binary crystals

    Journal of Advanced Ceramics · 2025-06-15

    Hongyu Yang, Ce Gao, Denghui Jiang, Dafang Zhong, Yuxuan Ma, Yihang Li, Linzhuang Xing, Heng Zhao, Yang Li, Zhimin Li, Yue Hao

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  3. Machine learning-based structural analysis of OATP1B1 interactors/non-interactors: Discriminating toxic and non-toxic alerts for transporter-mediated toxicity

    Computational Toxicology · 2025-08-08

    Shovanlal Gayen, Indrasis Dasgupta, Balaram Ghosh, Insaf Ahmed Qureshi, Partha Pratim Roy

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  4. Machine Learning-Guided Design of Bio-Based Furan-Containing Polyimides with Tunable Dielectric Properties

    Macromolecules · 2025-08-27

    Hong-Li Yang, Deguang Liu, Ke Duan, Ying Wang, Haoke Qiu, Jianwei Zhang, Yao Fu, Zhao‐Yan Sun

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  5. Data-efficient Machine Learning for Polymer Informatics

    Chinese Journal of Polymer Science · 2025-09-02

    Xin-Yao Xu, Xiao Hu, Liquan Wang, Ying Lan Jiang

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  6. AI‐Assisted Design of Advanced Polymeric Materials: Challenges and Solutions

    Advanced Materials · 2025-11-20

    Liang Gao, Siqin Song, Jiaping Lin, Yisheng Xu, Liquan Wang, Lei Du

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  7. Development of Disulfide Epoxy Vitrimers via Transfer Learning: Bridging the Gap between Excellent Comprehensive Properties and Dynamic Cross-Linking Networks

    Macromolecules · 2025-12-08

    Yucheng Zhang, Junyu Luo, Hao Li, Wen-Rui Li, Wen-Rui Li, Wendong Li, Wendong Li, Ming Zhang, Guanjun Zhang

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  8. Towards an artificial intelligence ecosystem for performance-driven polymer design

    Polymer Chemistry · 2026-01-01

    Jie Zhu, Dong Wu, Zhao‐Yan Sun, H. C. Li, Xiayun Huang, Zhihong Nie

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  9. Machine Learning for Reactive Structural Adhesive Design: A Framework for Chemistry, Formulation, and Optimization

    Adhesives · 2026-02-24

    Florian Rothenhäusler, Holger Ruckdaeschel

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  10. AI‐Assisted Design of 2D‐Material Electrode for Next‐Generation Wearable Aqueous Zinc Batteries

    Small Structures · 2026-04-01

    Shibo Meng, Jinxiu Feng, Jia Ying, Dong Zheng, Wenxian Liu, Fangfang Wu, Wenhui Shi, Xiehong Cao

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  11. Chemically Informed Machine Learning Approach for Prediction of Reactivity Ratios in Radical Copolymerization

    ACS Omega · 2026-09-11

    Habibollah Safari, Mona Bavarian

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