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Machine Learning: Deep Learning Spectroscopy: Neural Networks for Molecular Excitation Spectra (Adv. Sci. 9/2019)

With artificial intelligence (AI), we learn the relationship between molecular structure and properties. In article number 1801367, Patrick Rinke and co‐workers build a deep learning AI spectroscopist that can make predictions for molecular spectra instantly and at no further cost for the end user....

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Detalles Bibliográficos
Publicado en:Adv Sci (Weinh)
Main Authors: Ghosh, Kunal, Stuke, Annika, Todorović, Milica, Jørgensen, Peter Bjørn, Schmidt, Mikkel N., Vehtari, Aki, Rinke, Patrick
Formato: Artigo
Idioma:Inglês
Publicado: John Wiley and Sons Inc. 2019
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Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC6498127/
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/advs.201970053
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