Machine learning in constructing structure–property relationships of polymers DOI Open Access
Yongqiang Ming, Jianglong Li,

Jianlong Wen

et al.

Chemical Physics Reviews, Journal Year: 2025, Volume and Issue: 6(2)

Published: May 1, 2025

The properties of polymer materials are closely related to their structures. A deep understanding quantitative relationships between the structures and polymers is crucial for design preparation high-performance materials. However, these inherently complex difficult model with limited trial error experimental data. In recent years, machine learning (ML) has become an effective multidimensional relationship modeling method, playing important role in construction This review first provides overview ML workflow, a focus on feature engineering commonly used algorithms application processes. Afterward, progress was summarized evaluated from aspects mechanical properties, thermal conductivity, glass transition temperature (Tg), compatibility, dielectric refractive index polymers. Finally, prospects material research were proposed.

Language: Английский

Machine learning in constructing structure–property relationships of polymers DOI Open Access
Yongqiang Ming, Jianglong Li,

Jianlong Wen

et al.

Chemical Physics Reviews, Journal Year: 2025, Volume and Issue: 6(2)

Published: May 1, 2025

The properties of polymer materials are closely related to their structures. A deep understanding quantitative relationships between the structures and polymers is crucial for design preparation high-performance materials. However, these inherently complex difficult model with limited trial error experimental data. In recent years, machine learning (ML) has become an effective multidimensional relationship modeling method, playing important role in construction This review first provides overview ML workflow, a focus on feature engineering commonly used algorithms application processes. Afterward, progress was summarized evaluated from aspects mechanical properties, thermal conductivity, glass transition temperature (Tg), compatibility, dielectric refractive index polymers. Finally, prospects material research were proposed.

Language: Английский

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