A KAN-based interpretable framework for prediction of global warming potential across chemical space

Accurate yet interpretable prediction of Global Warming Potential (GWP) is essential for the sustainable design of novel molecules, chemical processes and materials. This capability is valuable in the early-stage screening of compounds with potential relevance to carbon management and emerging CCUS...

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Bibliographic Details
Main Authors: Jaewook Lee, Xinyang Sun, Ethan Errington, Calum Drysdale, Miao Guo
Format: Article
Language:English
Published: Elsevier 2025-09-01
Series:Carbon Capture Science & Technology
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Online Access:http://www.sciencedirect.com/science/article/pii/S2772656825001174
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