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Eigencages: Learning a Latent Space of Porous Cage Molecules

[Image: see text] Porous organic cage molecules harbor nanosized cavities that can selectively adsorb gas molecules, lending them applications in separations and sensing. The geometry of the cavity strongly influences their adsorptive selectivity. For comparing cages and predicting their adsorption...

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Detalhes bibliográficos
Publicado no:ACS Cent Sci
Main Authors: Sturluson, Arni, Huynh, Melanie T., York, Arthur H. P., Simon, Cory M.
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2018
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6311689/
https://ncbi.nlm.nih.gov/pubmed/30648150
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acscentsci.8b00638
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