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XGBoost: An Optimal Machine Learning Model with Just Structural Features to Discover MOF Adsorbents of Xe/Kr

[Image: see text] The inert gases Xe and Kr mainly exist in the used nuclear fuel (UNF) with the Xe/Kr ratio of 20:80, which it is difficult to separate. In this work, based on the G-MOFs database, high-throughput computational screening for metal–organic frameworks (MOFs) with high Xe/Kr adsorption...

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Detalles Bibliográficos
Autores principales:	Liang, Heng, Jiang, Kun, Yan, Tong-An, Chen, Guang-Hui
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2021
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8028164/ https://www.ncbi.nlm.nih.gov/pubmed/33842776 http://dx.doi.org/10.1021/acsomega.1c00100

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