Predicting the glass-transition temperatures (T g) of glass-forming polymers is of critical
importance as it governs the thermophysical properties of polymeric materials. The …

Visualization of polymer molecules by molecular dynamics simulation remains a challenging
area in molecular modeling, as it involves a number of factors like type of force field …

The glass transition temperature (Tg) is one of the most important properties affecting the
stability of a polymeric material. A cheminformatics‐based approach has been employed to …

Predicting the glass transition temperature (T g) is of critical importance as it governs the
thermomechanical performance of conjugated polymers (CPs). Here, we report a predictive …

In the field of polymer informatics, utilizing machine learning (ML) techniques to evaluate the
glass transition temperature T g and other properties of polymers has attracted extensive …

To formulate a machine learning (ML) model to establish the polymer's structure-property
correlation for glass transition temperature T g, we collect a diverse set of nearly 13,000 real …

The glass transition temperature of polymers is a key parameter in meeting the application
requirements for energy absorption. Previous studies have provided some data from slow …

In this work convolutional-fully connected neural networks were designed and trained to
predict the glass transition temperature of polymers based only on their chemical structure …

Quantitative structure− property relationships (QSPR) are developed to correlate glass
transition temperatures and chemical structure. Both monomer and repeat unit structures are …

Technological advances and the need for new polymers necessitate continuous research in
the design and identification of polymers with specific physical and chemical properties …