A SPREADSHEET PROGRAM FOR MODELING QUANTITATIVE STRUCTURE-PHARMACOKINETIC RELATIONSHIPS FOR INHALED VOLATILE ORGANICS IN HUMANS

M. BELIVEAU; K. KRISHNAN

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A SPREADSHEET PROGRAM FOR MODELING QUANTITATIVE STRUCTURE-PHARMACOKINETIC RELATIONSHIPS FOR INHALED VOLATILE ORGANICS IN HUMANS

机译：用于模拟人类吸入的挥发性有机物的定量结构-药动关系的电子表格程序

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The extent and profile of target tissue exposure to toxicants depend upon the pharmacokinetic processes, namely, absorption, distribution, metabolism and excretion. The present study developed a spreadsheet program to simulate the pharmacokinetics ofinhaled volatile organic chemicals (VOCs) in humans based on information from molecular structure. The approach involved the construction of a human physiologically-based pharmacokinetic (PBPK) model, and the estimation of its parameters based on quantitative structure-property relationships (QSPRs) in an Excel~R spreadsheet The compartments of the PBPK model consisted of liver, adipose tissue, poorly perfused tissues and richly perfused tissues connected by circulating blood. The parameters required we

机译：目标组织暴露于毒物的程度和特性取决于药代动力学过程，即吸收，分布，代谢和排泄。本研究开发了一种电子表格程序，该程序可以根据分子结构信息模拟人体中吸入的挥发性有机化学物质（VOC）的药代动力学。该方法涉及建立基于人体生理学的药代动力学（PBPK）模型，并基于Excel〜R电子表格中的定量结构-性质关系（QSPRs）估算其参数PBPK模型的各个部分由肝脏，脂肪组成。组织，灌注不良的组织和灌注丰富的组织之间通过循环血液相连。我们需要的参数

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《SAR and QSAR in Environmental Research》 |2005年第2期|共15页
作者
M. BELIVEAU; K. KRISHNAN;
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正文语种 eng
中图分类环境科学、安全科学;
关键词
QSAR; PBPK models; Pharmacokinetics; Structure; Internal dose; VOCs;

机译：QSAR;PBPK模型;药代动力学;结构;内部剂量;VOC;

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1. A SPREADSHEET PROGRAM FOR MODELING QUANTITATIVE STRUCTURE-PHARMACOKINETIC RELATIONSHIPS FOR INHALED VOLATILE ORGANICS IN HUMANS [J] . M. BELIVEAU, K. KRISHNAN SAR and QSAR in Environmental Research . 2005,第1a2期

机译：用于模拟人类吸入的挥发性有机物的定量结构-药动关系的电子表格程序
2. Quantitative Property-Property Relationship for Screening-Level Prediction of Intrinsic Clearance of Volatile Organic Chemicals in Rats and Its Integration within PBPK Models to Predict Inhalation Pharmacokinetics in Humans [J] . ThomasPeyret, KannanKrishnan Journal of toxicology . 2012,第1期

机译：定量性质与属性的关系，用于筛查大鼠挥发性有机化合物的内在清除水平，并将其整合到PBPK模型中，以预测人类的吸入药代动力学
3. In Silico Prediction of Human Renal Clearance of Compounds Using Quantitative Structure-Pharmacokinetic Relationship Models [J] . Chen Jianhui, Yang Hongbin, Zhu Lan, Chemical research in toxicology . 2020,第2期

机译：使用定量结构 - 药代动力学关系模型在硅肾间隙的硅肾间隙预测中
4. Quantitative Structure-Retention Relationship (QSRR) study of oxygen-containing organic compounds based on Gene Expression Programming (GEP) [C] . Xiaotong Zhang, Ting Sun, Lihua Shi, 2016 12th International Conference on Natural Computation, Fuzzy Systems and Knowledge Discovery . 2016

机译：基于基因表达程序设计（GEP）的含氧有机化合物的定量结构-保留关系（QSRR）研究
5. Influence of site-specific soil physical parameters on the modelling of risks for human inhalation of volatile petroleum hydrocarbons. [D] . Hamilton, Jeff T. 2008

机译：特定地点的土壤物理参数对人体吸入挥发性石油烃风险建模的影响。
6. Quantitative Property-Property Relationship for Screening-Level Prediction of Intrinsic Clearance of Volatile Organic Chemicals in Rats and Its Integration within PBPK Models to Predict Inhalation Pharmacokinetics in Humans [O] . Thomas Peyret, Kannan Krishnan 2012

机译：定量性质与属性的关系用于筛查大鼠挥发性有机化合物的内在清除水平并将其整合到PBPK模型中以预测人类的吸入药代动力学
7. Quantitative Property-Property Relationship for Screening-Level Prediction of Intrinsic Clearance of Volatile Organic Chemicals in Rats and Its Integration within PBPK Models to Predict Inhalation Pharmacokinetics in Humans [O] . Peyret, Thomas, Krishnan, Kannan 2012

机译：定量性质与属性的关系，用于筛查大鼠挥发性有机化合物的内在清除水平，并将其整合到PBPK模型中以预测人类的吸入药代动力学
8. Risk Assessment Approach for Nursing Infants Exposed to Volatile Organics through the Mother's Occupational Inhalation Exposure. [R] . Shelley, M. L., Andersen, M. E., Fisher, J. W. 1989

机译：母亲职业吸入暴露护理婴幼儿暴露于挥发性有机物的风险评估方法。

A SPREADSHEET PROGRAM FOR MODELING QUANTITATIVE STRUCTURE-PHARMACOKINETIC RELATIONSHIPS FOR INHALED VOLATILE ORGANICS IN HUMANS

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