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Predicting Critical Micelle Concentrations for Surfactants using Graph Convolutional Neural Networks

By Shiyi Qin and others
Surfactants are amphiphilic molecules that are widely used in consumer products, industrial processes, and biological applications. A critical property of a surfactant is the critical micelle concentration (CMC), which is the concentration at which surfactant molecules undergo cooperative self-assembly in solution. Notably, the primary method to obtain CMCs experimentally—tensiometry—is laborious... Show more
April 9, 2021
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Predicting Critical Micelle Concentrations for Surfactants using Graph Convolutional Neural Networks
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