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RESEARCH PAPER · Journal of materials research/Pratt's guide to venture capital sources · 2025

Using experimental data in computationally guided rational design of inorganic materials with machine learning

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

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Using experimental data in computationally guided rational design of inorganic materials with machine learningOriginalComputational data as the fuel for AI in chemistry0Artificial intelligence-enabled MOS gas sensors: Towards Selective and intelligent detection in complex environments19Roadmap for transforming heterogeneous catalysis with artificial intelligence27Reaction mechanisms and rational design of MOF catalysts: insights from microscopic simulations2Machine Learning Approach to Anticancer Activity Prediction of Transition-Metal Complexes Based on a Large-Scale Experimental Database6Artificial Intelligence in Metal Complexes Research: Advances in Synthesis, Characterization, and Applications1Reinforcement Learning for Cathode Material Design Through Sequential Decision-Making Frameworks0

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  1. Computational data as the fuel for AI in chemistry

    Chemical Science · 2026-01-01

    Ross James Urquhart, Tell Tuttle

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  2. Artificial intelligence-enabled MOS gas sensors: Towards Selective and intelligent detection in complex environments

    Sensors and Actuators A Physical · 2026-01-15

    Gen Li, Sunghoon Park, Hyojung Kim, Muhammad Hilal, Zhicheng Cai

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  3. Roadmap for transforming heterogeneous catalysis with artificial intelligence

    Nature Catalysis · 2026-02-16

    Hongliang Xin, John Kitchin, Núria López, Neil M. Schweitzer, Nongnuch Artrith, Fanglin Che, Lars Christian Grabow, G. T. Kasun Kalhara Gunasooriya, Heather J. Kulik, Teodoro Laino, H. C. Li, Suljo Linic, Andrew James Medford, Randall J. Meyer, Jiayu Peng, Cory Phillips, Jin Qian, Long Hao Qi, Wendy J. Shaw, Zachary W. Ulissi, Siwen Wang, Xiaonan Wang

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  4. Reaction mechanisms and rational design of MOF catalysts: insights from microscopic simulations

    Coordination Chemistry Reviews · 2026-03-09

    Zuoshuai Xi, Xinmeng Xu, Jin Lin, Zhimeng Liu, Wenting Ding, Shuanglong Li, Yuqiao Su, Yujie Guo, Hongyi Gao, Ge Wang

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  5. Machine Learning Approach to Anticancer Activity Prediction of Transition-Metal Complexes Based on a Large-Scale Experimental Database

    Journal of Medicinal Chemistry · 2026-04-13

    Lev V. Krasnov, D. A. Malikov, Marina A. Kiseleva, Ekaterina V. Nykhrikova, Sergei V. Tatarin, Stanislav I. Bezzubov

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  6. Artificial Intelligence in Metal Complexes Research: Advances in Synthesis, Characterization, and Applications

    Arabian Journal for Science and Engineering · 2026-04-25

    Shimaa Hosny, Qusi K. Alomoush, Leila Magdy Abbass, Mohammad A. Qaderi, Marwa Saeed, Lamiaa Z. Mohamed

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  7. Reinforcement Learning for Cathode Material Design Through Sequential Decision-Making Frameworks

    Nanomaterials · 2026-08-10

    Taimoor Muzaffar Gondal, Muhammad Qasim, Yasir Arafat

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