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To Pass or Not To Pass: Predicting the Blood–Brain Barrier Permeability with the 3D-RISM-KH Molecular Solvation Theory
[Image: see text] Predicting the ability of chemical species to cross the blood–brain barrier (BBB) is an active field of research for development and mechanistic understanding in the pharmaceutical industry. Here, we report the BBB permeability of a large data set of compounds by incorporating mole...
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| Publicado no: | ACS Omega |
|---|---|
| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Chemical Society
2019
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6796930/ https://ncbi.nlm.nih.gov/pubmed/31646222 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.9b01512 |
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