Ontology highlight
ABSTRACT:
SUBMITTER: Tao L
PROVIDER: S-EPMC8085602 | biostudies-literature | 2021 Apr
REPOSITORIES: biostudies-literature
Tao Lei L Chen Guang G Li Ying Y
Patterns (New York, N.Y.) 20210326 4
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 homopolymers from the largest polymer database, PoLyInfo. We train the deep neural network (DNN) model with 6,923 experimental T g values using Morgan fingerprint representations of chemical structures for these polymers. Interestingly, the trained DNN model can reasonably predict the unknown T g values ...[more]