26 citations
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physics.chem-ph2024★ 20 cited
Predicting the Temperature Dependence of Surfactant CMCs Using Graph Neural Networks
Christoforos Brozos, Jan G. Rittig, Sandip Bhattacharya +3
The critical micelle concentration (CMC) of surfactant molecules is an essential property for surfactant applications in industry. Recently, classical QSPR and Graph Neural Network…
physics.chem-ph2024★ 26 cited
Graph Neural Networks for Surfactant Multi-Property Prediction
Christoforos Brozos, Jan G. Rittig, Sandip Bhattacharya +3
Surfactants are of high importance in different industrial sectors such as cosmetics, detergents, oil recovery and drug delivery systems. Therefore, many quantitative structure-pro…