Biomedical Sciences, University of North Dakota, School of Medicine & Health Sciences, Grand Forks, North Dakota, 58202, USA.
Computer Sciences, University of North Dakota, Grand Forks, North Dakota, 58202, USA.
Mol Inform. 2018 May;37(5):e1700129. doi: 10.1002/minf.201700129. Epub 2018 Jan 29.
The US Toxicology Testing in the 21st Century (Tox21) program was established to develop more efficient and human-relevant toxicity assessment methods. The Tox21 program screens >10,000 chemicals using quantitative high-throughput screening (qHTS) of assays that measure effects on toxicity pathways. To date, more than 70 assays have yielded >12 million concentration-response curves. The patterns of activity across assays can be used to define similarity between chemicals. Assuming chemicals with similar activity profiles have similar toxicological properties, we may infer toxicological properties based on its neighbourhood. One approach to inference is chemical/biological annotation enrichment analysis. Here, we present Tox21 Enricher, a web-based chemical annotation enrichment tool for the Tox21 toxicity screening platform. Tox21 Enricher identifies over-represented chemical/biological annotations among lists of chemicals (neighbourhoods), facilitating the identification of the toxicological properties and mechanisms in the chemical set.
美国 21 世纪毒理学测试(Tox21)计划旨在开发更高效、更具人类相关性的毒性评估方法。该计划使用定量高通量筛选(qHTS)方法筛选了超过 10000 种化学物质,这些方法可测量对毒性途径的影响。迄今为止,已有超过 70 种检测方法生成了超过 1200 万个浓度-反应曲线。检测之间的活性模式可用于定义化学物质之间的相似性。假设具有相似活性谱的化学物质具有相似的毒理学特性,我们可以根据其邻近性推断出毒理学特性。一种推断方法是化学/生物注释富集分析。在这里,我们展示了 Tox21 Enricher,这是一个基于网络的 Tox21 毒性筛选平台的化学注释富集工具。Tox21 Enricher 可在化学物质列表(邻域)中识别过度表达的化学/生物注释,从而有助于确定化学物质集中的毒理学特性和机制。