Machine-Learning-Assisted High-Throughput computational screening of Metal–Organic framework membranes for hydrogen separation
Xiangning Bai, Zenan Shi, Huan Xia, Shuhua Li, Zili Liu, Hong Liang, Zhiting Liu, Bangfen Wang, Zhiwei Qiao
Topics & Concepts
UnivariateRandom forestDecision treeMultivariate statisticsArtificial intelligenceMachine learningComputationMolecular descriptorMembraneComputer scienceChemistryQuantitative structure–activity relationshipAlgorithmBiochemistryMetal-Organic Frameworks: Synthesis and ApplicationsMembrane Separation and Gas TransportCovalent Organic Framework Applications