| Abstrakt: |
This article features a practical and critical approach to the development and use of computational blood–brain barrier models; the experimental blood–brain barrier models are also critically examined as the main source of dependant variable that exerts a strong influence on model accuracy and significance. While a very few simple chemical descriptors are generally sufficient to predict the passive diffusion pathway to the brain, we have focused on the inclusion of some other transport components, such as active transport to the brain, transcytosis, internalization and P–glycoprotein active efflux from the brain. These components are fundamental to modeling the behavior of a large panel of drugs, in particular that of complex drugs emerging from biotechnologies that are known to have low passive diffusion. [ABSTRACT FROM AUTHOR] |
