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cΔlog k(w)(IAM): can we afford estimation of small molecules’ blood-brain barrier passage based upon in silico phospholipophilicity?
56 compounds, whose log BB values were known from the scientific literature, were considered and their phospholipophilicity values were calculated in silico. These values, along with either experimentally determined or calculated lipophilicity values, were used to extract cΔ/Δ’log k(w)(IAM) paramete...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Association of Physical Chemists
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8920103/ https://www.ncbi.nlm.nih.gov/pubmed/35300371 http://dx.doi.org/10.5599/admet.1034 |