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A graph representation of molecular ensembles for polymer property prediction

Synthetic polymers are versatile and widely used materials. Similar to small organic molecules, a large chemical space of such materials is hypothetically accessible. Computational property prediction and virtual screening can accelerate polymer design by prioritizing candidates expected to have fav...

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Detalles Bibliográficos
Autores principales:	Aldeghi, Matteo, Coley, Connor W.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2022
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9473492/ https://www.ncbi.nlm.nih.gov/pubmed/36277616 http://dx.doi.org/10.1039/d2sc02839e

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