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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...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2019
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| 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 |