A quantitative relationship between Tgs and chain segment structures of polystyrenes

X Yu, X Huang - Polímeros, 2017 - SciELO Brasil
The glass transition temperature (T g) is a fundamental characteristic of an amorphous
polymer. A quantitative structure-property relationship (QSPR) based on error back …

Prediction of glass transition temperatures for polystyrenes from cyclic dimer structures using artificial neural networks

J Xu, L Zhu, D Fang, L Liu, W Xu, Z Li - Fibers and Polymers, 2012 - Springer
The quantitative structure-property relationship (QSPR) was studied for the prediction of
glass transition temperatures of polystyrenes on a set of 107 polystyrenes using artificial …

Prediction of the glass transition temperatures for polymers with artificial neural network

XL Yu, B Yi, XY Wang - Journal of Theoretical and Computational …, 2008 - World Scientific
The glass transition temperature (Tg) values of three classes of vinyl polymers, ie
polystyrenes, polyacrylates, and polymethacrylates, were predicted by using a quantitative …

Prediction of glass transition temperatures of polyacrylates from the structures of motion units

X Yu, X Huang - Journal of Theoretical and Computational …, 2016 - World Scientific
The glass transition temperature (T g) is the most important parameter of an amorphous
polymer. A quantitative structure-property relationship (QSPR) was developed for T gs of 82 …

Encoding alternatives for the prediction of polyacrylates glass transition temperature by quantitative structure–property relationships

AG Mercader, PR Duchowicz - Materials Chemistry and Physics, 2016 - Elsevier
The glass transition temperature, T g, is one of the most important properties of amorphous
polymers. The ability to predict the T g value of a polymer prior to its synthesis it is of great …

A neural network approach to prediction of glass transition temperature of polymers

X Chen, L Sztandera… - International Journal of …, 2008 - Wiley Online Library
Polymeric materials are finding increasing application in commercial optical communication
systems. Taking advantage of techniques from the field of artificial intelligence, the goal of …

A simple three‐descriptor model for the prediction of the glass‐transition temperatures of vinyl polymers

X Yu, W Yu, X Wang - Journal of applied polymer science, 2010 - Wiley Online Library
An artificial neural network (ANN) implementing a back-propagation algorithm was applied
for the prediction of the glass-transition temperature (Tg) values of 84 polyacrylates and 21 …

Prediction of glass transition temperatures from monomer and repeat unit structure using computational neural networks

BE Mattioni, PC Jurs - Journal of chemical information and …, 2002 - ACS Publications
Quantitative structure− property relationships (QSPR) are developed to correlate glass
transition temperatures and chemical structure. Both monomer and repeat unit structures are …

Prediction of glass transition temperatures for polystyrenes by a four‐descriptors QSPR model

X Yu, X Wang, X Li, J Gao… - Macromolecular theory and …, 2006 - Wiley Online Library
A set of new molecular descriptors, RSC, SMC, DHB and MPE, which are obtained directly
from polystyrenes monomer structures, are used to predict the Tg values of polystyrenes and …

Prediction of high weight polymers glass transition temperature using RBF neural networks

A Afantitis, G Melagraki, K Makridima… - Journal of molecular …, 2005 - Elsevier
A novel approach to the prediction of the glass transition temperature (Tg) for high molecular
polymers is presented. A new quantitative structure–property relationship (QSPR) model is …