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RESEARCH PAPER · Progress in Natural Science Materials International · 2024

The current research status and prospects of AI in chemical science

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The current research status and prospects of AI in chemical scienceOriginalProgress in prediction of photocatalytic CO2 reduction using machine learning approach: A mini review16The converging moment of chemistry and artificial intelligence: a review and outlook0Классификация применения искусственного интеллекта в химии: от автоматизации к цифровому научному мышлению2A practical method for maintaining the validity of hybrid AI process models without retraining1Human-AI collaboration in chemical engineering0Exploring the structural basis of organic compounds by predicting experimental IR peaks: a machine learning analysis1Artificial Intelligence as the Next Visionary in Liquid Crystal Research3Residual-Compensated Ensemble Framework for High-Accuracy Interpretable Prediction of Binding Energies on Alloy Surfaces0Artificial intelligence in scientific review and writing: What should we be doing?0AI for electrocatalytic energy conversion: from atoms to industry0Stepping into the Machine Chemist: An AI Vision-Driven Titration Robot for Learning by Creating0

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  1. Progress in prediction of photocatalytic CO2 reduction using machine learning approach: A mini review

    Next Materials · 2025-02-10

    Mir Mohammad Ali, Md. Arif Hossen, Azrina Abd Aziz

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  2. The converging moment of chemistry and artificial intelligence: a review and outlook

    Scientia Sinica Chimica · 2025-06-25

    Wei Zhang, Yidong Zhang, Jiacheng Xiong, Mingyue Zheng, Kaixian Chen

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  3. Классификация применения искусственного интеллекта в химии: от автоматизации к цифровому научному мышлению

    ANALYTICS Russia · 2025-08-22

    Valentine P. Ananikov

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  4. A practical method for maintaining the validity of hybrid AI process models without retraining

    Computers & Chemical Engineering · 2025-10-02

    Hsiao-Te Liu, Ming-Chun Fang, Hao‐Yeh Lee, Jeffrey D. Ward, Cheng-Ting Hsieh, Tzu-Chieh Hua, Shih-Chieh Lin, Chih-Lung Lee, Tzu-Hsien Huang, Wei-Ti Chou

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  5. Human-AI collaboration in chemical engineering

    Elsevier eBooks · 2025-10-17

    Junaid Hassan, Maryam Abdinejad, Juliana Heloisa Pinê Américo‐Pinheiro, Irfan Ul Hai, Alexander L. Chupin, Begüm Erten

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  6. Exploring the structural basis of organic compounds by predicting experimental IR peaks: a machine learning analysis

    Journal of Molecular Graphics and Modelling · 2026-01-20

    Sadaf Noreen, Mamduh J. Aljaafreh, Ashour M. Ahmed

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  7. Artificial Intelligence as the Next Visionary in Liquid Crystal Research

    Advanced Functional Materials · 2026-01-29

    Mert Orhan Astam, Ouassim L'Karkouri, Danqing Liu

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  8. Residual-Compensated Ensemble Framework for High-Accuracy Interpretable Prediction of Binding Energies on Alloy Surfaces

    The Journal of Physical Chemistry Letters · 2026-02-05

    Jiaqiang Yang, Ningyu Zhang, Yubing You, Xiaofeng Zhang, Xiaofei Zhang, Bingbo Niu, Jun He, Chengduo Wang, Bin Shan, Qingkui Li

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  9. Artificial intelligence in scientific review and writing: What should we be doing?

    Integrated Environmental Assessment and Management · 2026-05-01

    Richard J. Wenning

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  10. AI for electrocatalytic energy conversion: from atoms to industry

    Science China Materials · 2026-05-26

    Xuan Yang, Nan Wang, Zhaoxin Guo, Chenfei Xu, Xiaoyang Wang, J C Zhang, Pengfei Huang, Yanan Chen

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  11. Stepping into the Machine Chemist: An AI Vision-Driven Titration Robot for Learning by Creating

    Journal of Chemical Education · 2026-10-12

    Hao Zhang, Shanyong Dong, Meng Li, Yawen Tang, Yizhou Ling, Gengtao Fu

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