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DOI | 10.18637/jss.v079.104 |
httk: R Package for High-Throughput Toxicokinetics | |
Pearce, Robert G.1; Setzer, R. Woodrow1; Strope, Cory L.1; Sipes, Nisha S.2; Wambaugh, John F.1 | |
发表日期 | 2017-07-01 |
ISSN | 1548-7660 |
卷号 | 79期号:4 |
英文摘要 | Thousands of chemicals have been profiled by high-throughput screening programs such as ToxCast and Tox21; these chemicals are tested in part because most of them have limited or no data on hazard, exposure, or toxicokinetics. Toxicokinetic models aid in predicting tissue concentrations resulting from chemical exposure, and a " reverse dosimetry" approach can be used to predict exposure doses sufficient to cause tissue concentrations that have been identified as bioactive by high-throughput screening. We have created four toxicokinetic models within the R software package httk. These models are designed to be parameterized using high-throughput in vitro data (plasma protein binding and hepatic clearance), as well as structure-derived physicochemical properties and species-specific physiological data. The package contains tools for Monte Carlo sampling and reverse dosimetry along with functions for the analysis of concentration vs. time simulations. The package can currently use human in vitro data to make predictions for 553 chemicals in humans, rats, mice, dogs, and rabbits, including 94 pharmaceuticals and 415 ToxCast chemicals. For 67 of these chemicals, the package includes rat-specific in vitro data. This package is structured to be augmented with additional chemical data as they become available. Package httk enables the inclusion of toxicokinetics in the statistical analysis of chemicals undergoing high-throughput screening. |
英文关键词 | high-throughput;ToxCast;httk;toxicokinetics;pharmacokinetics |
语种 | 英语 |
WOS记录号 | WOS:000407157000001 |
来源期刊 | JOURNAL OF STATISTICAL SOFTWARE
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来源机构 | 美国环保署 |
文献类型 | 期刊论文 |
条目标识符 | http://gcip.llas.ac.cn/handle/2XKMVOVA/58797 |
作者单位 | 1.US EPA, 109 TW Alexander Dr,Mail Code D143-02, Res Triangle Pk, NC 27711 USA; 2.NIEHS, Div Natl Toxicol Program, 111 TW Alexander Dr,ML K2-17, Res Triangle Pk, NC 27709 USA |
推荐引用方式 GB/T 7714 | Pearce, Robert G.,Setzer, R. Woodrow,Strope, Cory L.,et al. httk: R Package for High-Throughput Toxicokinetics[J]. 美国环保署,2017,79(4). |
APA | Pearce, Robert G.,Setzer, R. Woodrow,Strope, Cory L.,Sipes, Nisha S.,&Wambaugh, John F..(2017).httk: R Package for High-Throughput Toxicokinetics.JOURNAL OF STATISTICAL SOFTWARE,79(4). |
MLA | Pearce, Robert G.,et al."httk: R Package for High-Throughput Toxicokinetics".JOURNAL OF STATISTICAL SOFTWARE 79.4(2017). |
条目包含的文件 | 条目无相关文件。 |
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