Quantifying and comparing the effects of key chemical descriptors on metal–organic frameworks water stability with CatBoost and SHAP
Zhiwen Ge, Sheng Feng, Changchang Ma, Kai Wei, Kan Hu, Weijie Zhang, Xiaojun Dai, Lufang Fan, Jinghao Hua
Topics & Concepts
Stability (learning theory)Metal-organic frameworkComputer scienceCategorical variableAdsorptionArtificial intelligenceMachine learningBiochemical engineeringChemistryEngineeringOrganic chemistryMetal-Organic Frameworks: Synthesis and ApplicationsMachine Learning in Materials ScienceComputational Drug Discovery Methods