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RESEARCH PAPER · Macromolecules · 2020

A Recommender System for Inverse Design of Polycarbonates and Polyesters

Nathaniel H. Park, Dmitry Yu. Zubarev, James L. Hedrick, Vivien Kiyek, Christiaan H. W. A. Corbet, Simon Lottier

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28 direct citing papers in this saved network. Explore the next layer with second-order citations.

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42 direct citing works

A Recommender System for Inverse Design of Polycarbonates and PolyestersOriginalChemical data intelligence for sustainable chemistry68Data-driven algorithms for inverse design of polymers100Machine Learning-Guided Discovery of 19F MRI Agents Enabled by Automated Copolymer Synthesis3Machine-Learning-Guided Discovery of 19 F MRI Agents Enabled by Automated Copolymer Synthesis155Machine learning for polymeric materials: an introduction95Synthesis of Aliphatic Hyperbranched Polycarbonates via Organo-Catalyzed “A1+B2”-Ring-Opening Polymerization7Simple and Efficient Synthesis of Functionalized Cyclic Carbonate Monomers Using Carbon Dioxide36Discovery of thermosetting polymers with low hygroscopicity, low thermal expansivity, and high modulus by machine learning35Sizing up feature descriptors for macromolecular machine learning with polymeric biomaterials37Artificial intelligence driven design of catalysts and materials for ring opening polymerization using a domain-specific language39Foundation Model for Material Science18Convergence of Artificial Intelligence, Machine Learning, Cheminformatics, and Polymer Science in Macromolecules32Design of functional and sustainable polymers assisted by artificial intelligence231Property Prediction of Bio‐Derived Block Copolymer Thermoplastic Elastomers Using Graph Kernel Methods1Property Prediction of Bio‐Derived Block Copolymer Thermoplastic Elastomers Using Graph Kernel Methods8Basic concepts and tools of artificial intelligence in polymer science40Self-assembly of architected macromolecules: Bridging a gap between experiments and simulations7Recommendation System to Predict the d‐band Center of Core‐Shell Bimetallic Nanoparticles Catalysts0369Chapter 14 Robotics innovations in nanotechnology: redefining polymer science with AI0Machine learning in polymer science: A new lens for physical and chemical exploration35Predictive Approaches for 3D ‐Printing: Methods and Approaches for Polymeric Materials5Inverse ligand design: a generative data-driven model for optimizing vanadyl-based epoxidation catalysts5Generative transformer decoder-only model polyGT: Toward polymer informatics comprehension and target polymer inverse design4Recent advances in high-molecular-weight polyglycolic acid: Controlled synthesis, tailored modification, and emerging applications3The Future of Polymer Science: Artificial Intelligence and Beyond0History of chatbots and their emerging applications in textiles, polymers, and sustainability0Machine learning-assisted free radical polymerization for tailor-made copolymer synthesis0Harnessing Artificial Intelligence (AI) for a greener future: a review of AI advancements in green chemistry, chemical processes and sustainable materials3

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  1. Chemical data intelligence for sustainable chemistry

    Chemical Society Reviews · 2021-01-01

    Jana M. Weber, Zhen Guo, Chonghuan Zhang, Artur M. Schweidtmann, Alexei A. Lapkin

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  2. Data-driven algorithms for inverse design of polymers

    Soft Matter · 2021-01-01

    Kianoosh Sattari, Yunchao Xie, Jian Lin

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  3. Machine Learning-Guided Discovery of 19F MRI Agents Enabled by Automated Copolymer Synthesis

    Unknown journal · 2021-07-20

    Marcus H. Reis, Filipp Gusev, Nicholas G. Taylor, Sang Hun Chung, Matthew Verber, Yueh Z. Lee, Olexandr Isayev, Frank A. Leibfarth

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  4. Machine-Learning-Guided Discovery of 19 F MRI Agents Enabled by Automated Copolymer Synthesis

    Journal of the American Chemical Society · 2021-10-12

    Marcus H. Reis, Filipp Gusev, Nicholas G. Taylor, Sang Hun Chung, Matthew Verber, Yueh Z. Lee, Olexandr Isayev, Frank A. Leibfarth

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  5. Machine learning for polymeric materials: an introduction

    Polymer International · 2021-12-04

    Morgan M. Cencer, Jeffrey S. Moore, Rajeev S. Assary

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  6. Synthesis of Aliphatic Hyperbranched Polycarbonates via Organo-Catalyzed “A1+B2”-Ring-Opening Polymerization

    Macromolecules · 2022-01-27

    Chengliang Wang, Xu Zhang, Wei Zhao, Xin Liu, Qingfu Wang, Jingjiang Sun

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  7. Simple and Efficient Synthesis of Functionalized Cyclic Carbonate Monomers Using Carbon Dioxide

    ACS Macro Letters · 2022-02-28

    James L. Hedrick, Victoria A. Piunova, Nathaniel H. Park, Tim Erdmann, Pedro L. Arrechea

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  8. Discovery of thermosetting polymers with low hygroscopicity, low thermal expansivity, and high modulus by machine learning

    Journal of Materials Chemistry A · 2023-01-01

    Xinyao Xu, Wenlin Zhao, Yaxi Hu, Liquan Wang, Jiaping Lin, Huimin Qi, Lei Du

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  9. Sizing up feature descriptors for macromolecular machine learning with polymeric biomaterials

    npj Computational Materials · 2023-06-12

    Samantha Stuart, Jeffrey Watchorn, Frank Gu

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  10. Artificial intelligence driven design of catalysts and materials for ring opening polymerization using a domain-specific language

    Nature Communications · 2023-06-21

    Nathaniel H. Park, Matteo Manica, Jannis Born, James L. Hedrick, Tim Erdmann, Dmitry Yu. Zubarev, Nil Adell Mill, Pedro L. Arrechea

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  11. Foundation Model for Material Science

    Proceedings of the AAAI Conference on Artificial Intelligence · 2023-06-26

    Seiji Takeda, Akihiro Kishimoto, Lisa Hamada, Daiju Nakano, John R. Smith

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  12. Convergence of Artificial Intelligence, Machine Learning, Cheminformatics, and Polymer Science in Macromolecules

    Macromolecules · 2024-08-09

    Arthi Jayaraman, Bradley D. Olsen

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  13. Design of functional and sustainable polymers assisted by artificial intelligence

    Nature Reviews Materials · 2024-08-19

    Tran Doan Huan, Rishi Gurnani, Chiho Kim, Ghanshyam Pilania, Ha-Kyung Kwon, Ryan P. Lively, Rampi Ramprasad

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  14. Property Prediction of Bio‐Derived Block Copolymer Thermoplastic Elastomers Using Graph Kernel Methods

    Angewandte Chemie · 2024-11-29

    Shannon R. Petersen, David Kohan Marzagão, Georgina L. Gregory, Yichen Huang, David Andrew Clifton, Charlotte K. Williams, Clive Richard Siviour

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  15. Property Prediction of Bio‐Derived Block Copolymer Thermoplastic Elastomers Using Graph Kernel Methods

    Angewandte Chemie International Edition · 2024-11-29

    Shannon R. Petersen, David Kohan Marzagão, Georgina L. Gregory, Yichen Huang, David A. Clifton, Charlotte K. Williams, Clive Richard Siviour

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  16. Basic concepts and tools of artificial intelligence in polymer science

    Polymer Chemistry · 2025-01-01

    Khalid Ferji

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  17. Self-assembly of architected macromolecules: Bridging a gap between experiments and simulations

    Chemical Physics Reviews · 2025-01-27

    Ji Woong Yu, Changsu Yoo, Suchan Cho, Myungeun Seo, YongJoo Kim

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  18. Recommendation System to Predict the d‐band Center of Core‐Shell Bimetallic Nanoparticles Catalysts

    Advanced Theory and Simulations · 2025-03-06

    Sakshi Agarwal, Abhishek Kumar Singh

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  19. 369Chapter 14 Robotics innovations in nanotechnology: redefining polymer science with AI

    De Gruyter eBooks · 2025-06-25

    Komal Gupta, Niranjan Kaushik, Amit Singh, Vikram Sharma, Tanya Biswas

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  20. Machine learning in polymer science: A new lens for physical and chemical exploration

    Progress in Materials Science · 2025-07-29

    Xiao-Qin Cao, Yongqing Zhang, Zhenghua Sun, Hongyao Yin, Yujun Feng

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  21. Predictive Approaches for 3D ‐Printing: Methods and Approaches for Polymeric Materials

    Wiley Interdisciplinary Reviews Computational Molecular Science · 2025-09-01

    Isabel Cooley, W.J. Wang, Vladimir A. Kozyrev, Ricky D. Wildman, Blair F. Johnston, Anna K. Croft

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  22. Inverse ligand design: a generative data-driven model for optimizing vanadyl-based epoxidation catalysts

    Journal of Catalysis · 2025-11-06

    José Ferraz-Caetano, Filipe Teixeira, M. Natália D. S. Cordeiro, Tomoyuki Miyao

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  23. Generative transformer decoder-only model polyGT: Toward polymer informatics comprehension and target polymer inverse design

    Chemical Engineering Science · 2025-12-30

    Hao Xu, Weimin Zhong, Xin Peng, Yiming Wang

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  24. Recent advances in high-molecular-weight polyglycolic acid: Controlled synthesis, tailored modification, and emerging applications

    Materials Today Chemistry · 2026-01-01

    Qiong Wu, Haokun Tan, Xinyu Zhao, Xiaoyuan Zhang, Zhiqiang Su

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  25. The Future of Polymer Science: Artificial Intelligence and Beyond

    Engineering materials · 2026-01-01

    Akshita, Devang Shukla, Rohit Verma, Tejendra Kumar Gupta, Deepshikha Gupta, Ravi Kant Choubey, Sunil Kumar, Vijay Kumar

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  26. History of chatbots and their emerging applications in textiles, polymers, and sustainability

    Sustainable materials and technologies · 2026-03-20

    Md. Al-Amin, Md. Emdad Hossain, Mohammad Shazed Ali, Abdus Salam, Ashraf Ali, Ahsan Ullah, Nur Alam, Mst. Nasrin Akhter, Syed Abrab Mahmood

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  27. Machine learning-assisted free radical polymerization for tailor-made copolymer synthesis

    Polymer · 2026-04-29

    Xiaoqin Cao, Chenpeng Wu, Xinzhou Tang, Yujun Feng, Yongqing Zhang, Hongyao Yin

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  28. Harnessing Artificial Intelligence (AI) for a greener future: a review of AI advancements in green chemistry, chemical processes and sustainable materials

    Applied Intelligence · 2026-06-01

    Ahmed M. Elkhatat, Shaheen A. Al‐Muhtaseb

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