Multimodal Transformer for Property Prediction in Polymers

In this work, we designed a multimodal transformer that combines both the Simplified Molecular Input Line Entry System (SMILES) and molecular graph representations to enhance the prediction of polymer properties. Three models with different embeddings (SMILES, SMILES + monomer, and SMILES + dimer) w...

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Veröffentlicht in:	ACS applied materials & interfaces 2024-04, Vol.16 (13), p.16853-16860
Hauptverfasser:	Han, Seunghee, Kang, Yeonghun, Park, Hyunsoo, Yi, Jeesung, Park, Geunyeong, Kim, Jihan
Format:	Artikel
Sprache:	eng
Schlagworte:	Applications of Polymer, Composite, and Coating Materials glass transition temperature polymers prediction
Online-Zugang:	Volltext
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