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Cell Permeability of Isomeric Macrocycles: Predictions and NMR Studies
[Image: see text] Conformation-dependent 3D descriptors have been shown to provide better predictions of the physicochemical properties of macrocycles than 2D descriptors. However, the computational identification of relevant conformations for macrocycles is nontrivial. Herein, we report that the Ca...
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| Publicat a: | ACS Med Chem Lett |
|---|---|
| Autors principals: | , , , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
American Chemical Society
2021
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| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8201747/ https://ncbi.nlm.nih.gov/pubmed/34136079 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsmedchemlett.1c00126 |
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