IMPRESSION – prediction of NMR parameters for 3-dimensional chemical structures using machine learning with near quantum chemical accuracy

The IMPRESSION (Intelligent Machine PREdiction of Shift and Scalar information Of Nuclei) machine learning system provides an efficient and accurate method for the prediction of NMR parameters from 3-dimensional molecular structures. Here we demonstrate that machine learning predictions of NMR param...

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Detalles Bibliográficos
Autores principales: Gerrard, Will, Bratholm, Lars A., Packer, Martin J., Mulholland, Adrian J., Glowacki, David R., Butts, Craig P.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Royal Society of Chemistry 2019
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7067266/
https://www.ncbi.nlm.nih.gov/pubmed/32190270
http://dx.doi.org/10.1039/c9sc03854j

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7067266/
https://www.ncbi.nlm.nih.gov/pubmed/32190270
http://dx.doi.org/10.1039/c9sc03854j

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