基于近期研究的系统综述的皮肤透过性数据更新。
An update of skin permeability data based on a systematic review of recent research.
机构信息
Institut national de recherche et de sécurité pour la prévention des accidents du travail et des maladies professionnelles (INRS), Dept Toxicologie et Biométrologie, 1 rue du Morvan, 54519, Vandoeuvre-lès-Nancy, France.
Laboratoire de Chémoinformatique UMR 7140 CNRS, Institut Le Bel, University of Strasbourg, 4 Rue Blaise Pascal, 67081, Strasbourg, France.
出版信息
Sci Data. 2024 Feb 21;11(1):224. doi: 10.1038/s41597-024-03026-4.
The cutaneous absorption parameters of xenobiotics are crucial for the development of drugs and cosmetics, as well as for assessing environmental and occupational chemical risks. Despite the great variability in the design of experimental conditions due to uncertain international guidelines, datasets like HuskinDB have been created to report skin absorption endpoints. This review updates available skin permeability data by rigorously compiling research published between 2012 and 2021. Inclusion and exclusion criteria have been selected to build the most harmonized and reusable dataset possible. The Generative Topographic Mapping method was applied to the present dataset and compared to HuskinDB to monitor the progress in skin permeability research and locate chemotypes of particular concern. The open-source dataset (SkinPiX) includes steady-state flux, maximum flux, lag time and permeability coefficient results for the substances tested, as well as relevant information on experimental parameters that can impact the data. It can be used to extract subsets of data for comparisons and to build predictive models.
外源化学物的皮肤吸收参数对于药物和化妆品的开发以及评估环境和职业化学风险至关重要。尽管由于不确定的国际指南,实验条件的设计存在很大的可变性,但仍创建了像 HuskinDB 这样的数据集来报告皮肤吸收终点。本综述通过严格整理 2012 年至 2021 年期间发表的研究,更新了可用的皮肤渗透数据。选择纳入和排除标准是为了构建尽可能协调和可重复使用的数据集。生成拓扑映射方法被应用于本数据集,并与 HuskinDB 进行比较,以监测皮肤渗透性研究的进展,并定位特别关注的化学型。开源数据集(SkinPiX)包括测试物质的稳态通量、最大通量、滞后时间和渗透系数结果,以及可能影响数据的实验参数的相关信息。它可用于提取数据子集进行比较,并构建预测模型。