XGBoost: An Optimal Machine Learning Model with Just Structural Features to Discover MOF Adsorbents of Xe/Kr
Heng Liang,
Kun Jiang,
Tong-An Yan,
Guang-Hui Chen
Affiliations
Heng Liang
Department of Chemistry, Key Laboratory for Preparation and Application of Ordered Structural Materials of Guangdong Province, Shantou University, Shantou, Guangdong, China
Kun Jiang
Department of Natural Science, Shantou Polytechnic, Shantou, Guangdong, China
Tong-An Yan
State Key Laboratory of Organic−Inorganic Composites, Beijing University of Chemical Technology, Beijing, China
Guang-Hui Chen
Department of Chemistry, Key Laboratory for Preparation and Application of Ordered Structural Materials of Guangdong Province, Shantou University, Shantou, Guangdong, China
