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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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Bibliografiska uppgifter
I publikationen:ACS Cent Sci
Huvudupphovsmän: Sturluson, Arni, Huynh, Melanie T., York, Arthur H. P., Simon, Cory M.
Materialtyp: Artigo
Språk:Inglês
Publicerad: American Chemical Society 2018
Länkar: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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