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Predicting Polymers’ Glass Transition Temperature by a Chemical Language Processing Model

We propose a chemical language processing model to predict polymers’ glass transition temperature ([Formula: see text]) through a polymer language (SMILES, Simplified Molecular Input Line Entry System) embedding and recurrent neural network. This model only receives the SMILES strings of a polymer’s...

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Detalhes bibliográficos
Publicado no:Polymers (Basel)
Main Authors: Chen, Guang, Tao, Lei, Li, Ying
Formato: Artigo
Idioma:Inglês
Publicado em: MDPI 2021
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC8201381/
https://ncbi.nlm.nih.gov/pubmed/34200505
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/polym13111898
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