Development and validation of predictive permeability and partitioning models for organic contaminants within physiologically-based toxicokinetic models

环境污染物暴露是一个日益令人关切的问题，评估与这种暴露相关的人类风险仍然是一门不精确的科学。风险在很大程度上是基于动物的暴露和影响与人类的接触和影响的推断。建模和模拟的使用已经被用来帮助理解来自食物或空气的化学暴露与反应之间的关系。通过在计算机中建立虚拟生物体来代表实验室动物和人类，可以根据动物的实验测试来模拟污染物在人体内的运动。因为我们不能在伦理上使人类接触污染物，所以这是预测人类接触的最好方法。这些虚拟生物体必须准确地代表真实的形式，这项提议的目的是确保化学物质从外部暴露到内部或器官暴露的移动得到很好的表现。由于反应是基于化学物质的器官浓度，了解这一过程是势在必行的。这将使人们能够预测不同物种的外部暴露与器官暴露的关系。

Environmental contaminant exposure is an escalating concern and assessing the human risks associated with such exposure continues to be an inexact science. Risks are largely based upon the extrapolation of exposure and effect in animals to those in human. The use of modeling and simulation has been used as an aid for understanding the relationship between chemical exposure, from food or air, and response. By building virtual organisms in computers to represent both laboratory animals and humans, the movement of the contaminant in the human body can be modeled based on experimental tests in animals. Because we cannot ethically expose humans to contaminants, this represents the best means at predicting human exposure. These virtual organisms must accurately represent the true form and this proposal aims to ensure that the movement of chemical from external exposure to internal or organ exposure is well represented. Since response is based on organ concentrations of the chemical, understanding this process is imperative. This will allow predictions of how the external exposure relates to organ exposure across different species.