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Refinement of Computational Access to Molecular Physicochemical Properties: From Ro5 to bRo5
[Image: see text] There is a need of computational tools to rank bRo5 drug candidates in the very early phases of drug discovery when chemical matter is unavailable. In this study, we selected three compounds: (a) a Ro5 drug (Pomalidomide), (b) a bRo5 orally available drug (Saquinavir), and (c) a po...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9511483/ https://www.ncbi.nlm.nih.gov/pubmed/36094896 http://dx.doi.org/10.1021/acs.jmedchem.2c00774 |