Python包定量表型从化学暴露与基准剂量建模。

IF 3.6 2区 生物学 Q1 BIOCHEMICAL RESEARCH METHODS
PLoS Computational Biology Pub Date : 2025-07-28 eCollection Date: 2025-07-01 DOI:10.1371/journal.pcbi.1013337
David J Degnan, Lisa M Bramer, Lisa Truong, Robyn L Tanguay, Sara M Gosline, Katrina M Waters
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引用次数: 0

摘要

虽然已知化学品接触可能对健康产生负面影响,包括导致癌症等慢性疾病,但尚未完全了解每种化学品对风险的定量影响。量化风险水平的一种常用方法是测量在化学物质暴露浓度增加时行为反应或形态异常的生物体比例(如盘子上的斑马鱼总数或笼子里的老鼠总数)。处理来自这些测定的比例数据的一个特别挑战是对导致畸形或急性毒性的化学浓度水平的适当估计,因为这些值通常在不同的实验测量之间变化。环境保护署(EPA)推荐的方法是用特定的过滤器和模型拟合步骤拟合基准剂量曲线,这对于正确处理比例数据至关重要。有几个工具用于拟合基准剂量响应曲线,但没有一个是独立的Python库,用于处理所有EPA推荐的过滤器,过滤器参数,模型和模型参数的形态学和行为学。因此,在这里,我们提出了基准剂量响应曲线(bmdrc) Python库,该库是为了密切遵循这些EPA指南而构建的,具有有用的过滤器和拟合模型曲线的可视化,以及用于可重复性目的的报告。BMDRC是开源的,并已证明作为现有化学品信息门户网站(https://srp.pnnl.gov)的支持包的实用性。我们的包装将支持任何毒理学分析,其中反应是在化学品或化学品混合物浓度水平增加时的比例值。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
bmdrc: Python package for quantifying phenotypes from chemical exposures with benchmark dose modeling.

Though chemical exposures are known to potentially have negative impacts on health, including contributing to chronic diseases such as cancer, the quantitative contribution of risk is not fully understood for every chemical. A commonly used approach to quantify levels of risk is to measure the proportion of organisms (such as a total number of zebrafish on a plate or mice in a cage) with abnormal behavioral responses or morphology at increasing concentrations of chemical exposure. A particular challenge with processing the proportional data from these assays is the appropriate estimation of chemical concentration levels that result in malformations or acute toxicity, as these values typically vary between experimental measurements. The recommended approach by the Environmental Protection Agency (EPA) is to fit benchmark dose curves with specific filters and model fitting steps, which are crucial to properly processing the proportional data. Several tools exist for the fitting of benchmark dose response curves, but none are standalone Python libraries built to process both morphological and behavioral data as proportions with all the EPA recommended filters, filter parameters, models, and model parameters. Thus, here we present the benchmark dose response curve (bmdrc) Python library, which was built to closely follow these EPA guidelines with helpful visualizations of filters and fitted model curves, and reports for reproducibility purposes. bmdrc is open-source and has demonstrated utility as a support package to an existing web portal for information on chemicals (https://srp.pnnl.gov). Our package will support any toxicology analysis where the response is a proportional value at increasing levels of a concentration of a chemical or chemical mixture.

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来源期刊
PLoS Computational Biology
PLoS Computational Biology BIOCHEMICAL RESEARCH METHODS-MATHEMATICAL & COMPUTATIONAL BIOLOGY
CiteScore
7.10
自引率
4.70%
发文量
820
审稿时长
2.5 months
期刊介绍: PLOS Computational Biology features works of exceptional significance that further our understanding of living systems at all scales—from molecules and cells, to patient populations and ecosystems—through the application of computational methods. Readers include life and computational scientists, who can take the important findings presented here to the next level of discovery. Research articles must be declared as belonging to a relevant section. More information about the sections can be found in the submission guidelines. Research articles should model aspects of biological systems, demonstrate both methodological and scientific novelty, and provide profound new biological insights. Generally, reliability and significance of biological discovery through computation should be validated and enriched by experimental studies. Inclusion of experimental validation is not required for publication, but should be referenced where possible. Inclusion of experimental validation of a modest biological discovery through computation does not render a manuscript suitable for PLOS Computational Biology. Research articles specifically designated as Methods papers should describe outstanding methods of exceptional importance that have been shown, or have the promise to provide new biological insights. The method must already be widely adopted, or have the promise of wide adoption by a broad community of users. Enhancements to existing published methods will only be considered if those enhancements bring exceptional new capabilities.
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