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Machine Learning Descriptor for Porous Molecular Frameworks Isomerization. Porous materials are often functionalised to enhance their properties. We developed a machine learning descriptor based on the functional group pair distance distribution to predict the optimal functionalisation arrangement.
maryamnhd/FG-Pair-Distance-Descriptor
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Machine Learning Descriptor for Porous Molecular Frameworks Isomerization. Porous materials are often functionalised to enhance their properties. We developed a machine learning descriptor based on the functional group pair distance distribution to predict the optimal functionalisation arrangement.
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