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Stereo-Aware Extension of HOSE Codes

[Image: see text] Descriptions of molecular environments have many applications in chemoinformatics, including chemical shift prediction. Hierarchically ordered spherical environment (HOSE) codes are the most popular such descriptions. We developed a method to extend these with stereochemistry infor...

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Detalles Bibliográficos
Autores principales:	Kuhn, Stefan, Johnson, Sean R.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2019
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6648302/ https://www.ncbi.nlm.nih.gov/pubmed/31459832 http://dx.doi.org/10.1021/acsomega.9b00488

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