A GNN-Based QSPR Model for Surfactant Properties

Surfactants are among the most versatile molecules in the chemical industry because they can self-assemble in bulk solutions and at interfaces. Predicting the properties of surfactant solutions, such as their critical micelle concentration (CMC), limiting surface tension (<inline-formula><m...

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Bibliographic Details
Main Authors: Seokgyun Ham, Xin Wang, Hongwei Zhang, Brian Lattimer, Rui Qiao
Format: Article
Language:English
Published: MDPI AG 2024-11-01
Series:Colloids and Interfaces
Subjects:
Online Access:https://www.mdpi.com/2504-5377/8/6/63
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