Interpretable machine learning for accelerating the discovery of metal-organic frameworks for ethane/ethylene separation
Zihao Wang, Teng Zhou, Kai Sundmacher
Topics & Concepts
PubChemFingerprint (computing)EthyleneMetal-organic frameworkComputer scienceCheminformaticsMolecular descriptorArtificial intelligenceMatching (statistics)SubstructureBiological systemMachine learningBiochemical engineeringChemistryQuantitative structure–activity relationshipEngineeringMathematicsComputational chemistryOrganic chemistryStructural engineeringCatalysisBiologyStatisticsAdsorptionMetal-Organic Frameworks: Synthesis and ApplicationsMachine Learning in Materials ScienceX-ray Diffraction in Crystallography