Deep-Learning-Based End-to-End Predictions of CO 2 Capture in Metal-Organic Frameworks

Metal-organic frameworks (MOFs) have become an active topic because of their excellent carbon capture and storage (CCS) properties. However, it is quite challenging to identify MOFs with superior performance within a massive combinatorial search space. To this end, we propose a deep-learning-based e...

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Veröffentlicht in:	Journal of chemical information and modeling 2022-07, Vol.62 (14), p.3281-3290
Hauptverfasser:	Lu, Cunxing, Wan, Xili, Ma, Xuhao, Guan, Xinjie, Zhu, Aichun
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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