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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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Bibliografski detalji
Izdano u:Polymers (Basel)
Glavni autori: Chen, Guang, Tao, Lei, Li, Ying
Format: Artigo
Jezik:Inglês
Izdano: MDPI 2021
Teme:
Online pristup: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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