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Gibbs–Helmholtz Graph Neural Network for the Prediction of Activity Coefficients of Polymer Solutions at Infinite Dilution

[Image: see text] Machine learning models have gained prominence for predicting pure-component properties, yet their application to mixture property prediction remains relatively limited. However, the significance of mixtures in our daily lives is undeniable, particularly in industries such as polym...

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Detalles Bibliográficos
Autores principales: Sanchez Medina, Edgar Ivan, Kunchapu, Sreekanth, Sundmacher, Kai
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10683018/
https://www.ncbi.nlm.nih.gov/pubmed/37943172
http://dx.doi.org/10.1021/acs.jpca.3c05892