Getting the MAX out of Computational Models: The Prediction of Unbound-Brain and Unbound-Plasma Maximum Concentrations
收藏NIAID Data Ecosystem2026-03-07 收录
下载链接：
https://figshare.com/articles/dataset/Getting_the_MAX_out_of_Computational_Models_The_Prediction_of_Unbound_Brain_and_Unbound_Plasma_Maximum_Concentrations/2514121
下载链接
链接失效反馈官方服务：
资源简介：
The objective of this work was to establish that unbound
maximum
concentrations may be reasonably predicted from a combination of computed
molecular properties assuming subcutaneous (SQ) dosing. Additionally,
we show that the maximum unbound plasma and brain concentrations may
be projected from a mixture of in vitro absorption, distribution,
metabolism, excretion experimental parameters in combination with
computed properties (volume of distribution, fraction unbound in microsomes).
Finally, we demonstrate the utility of the underlying equations by
showing that the maximum total plasma concentrations can be projected
from the experimental parameters for a set of compounds with data
collected from clinical research.
创建时间：
2012-06-14
