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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

Author

Zheng-Hong Luo

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2 papers indexed here

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Aug 2026

Coupling Molecular Simulation and Machine Learning for CO2 Adsorption Prediction on Defective and N/O/S-Doped Graphene Models: Insights into Feature Importance and Synergistic Effects

CO2 emissions were recognized to exacerbate climate change. Porous carbon-based adsorption was identified as a promising industrial sequestration strategy. However, complex structure-performance relationships could not be fully elucidated via traditional experiments, and classical models failed to predict nonlinear a...

Qiu-Shi Yu, Zhao Lei, Qin Pei et al. · 0 citations
Open access Sep 2026

Extrapolative Prediction of Propagation Rate Coefficient in Free-Radical Polymerization Based on kp (T, NI)-QSPR Model

This work assesses the extrapolation performance of the kp (T, NI)-QSPR model for free-radical polymerization. Although QSPR models often achieve high interpolation accuracy, their reliability for predicting beyond the training domain, a situation common in monomer reactivity exploration, remains a critical challenge....

Xiao-Jie Feng, Ya-Juan Shi, F. Yan et al. · 0 citations

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