Guided optimization of ToxPi model weights using a Semi-Automated approach [0.03%]
基于半自动方法的ToxPi模型权重优化指导研究
Jonathon F Fleming,John S House,Jessie R Chappel et al.
Jonathon F Fleming et al.
The Toxicological Prioritization Index (ToxPi) is a visual analysis and decision support tool for dimension reduction and visualization of high throughput, multi-dimensional feature data. ToxPi was originally developed for assessing the rel...
A Computational Model of Endogenous Hydrogen Peroxide Metabolism in Hepatocytes, Featuring a Critical Role for GSH [0.03%]
肝细胞内源性过氧化氢代谢的计算模型，其中谷胱甘肽起关键作用
L M Bilinsky
L M Bilinsky
This paper presents an ordinary differential equation (ODE) model of endogenous H2O2 production and elimination in hepatocytes that is unique, at the time of writing, in its ability to accurately compute intracellular H2O2 concentration dur...
Katie Paul Friedman,Miran J Foster,Ly Ly Pham et al.
Katie Paul Friedman et al.
This work estimates benchmarks for new approach method (NAM) performance in predicting organ-level effects in repeat dose studies of adult animals based on variability in replicate animal studies. Treatment-related effect values from the To...
Evaluating structure-based activity in a high-throughput assay for steroid biosynthesis [0.03%]
基于结构的活性在类固醇生物合成高通量测定中的评估
M J Foster,G Patlewicz,I Shah et al.
M J Foster et al.
Data from a high-throughput human adrenocortical carcinoma assay (HT-H295R) for steroid hormone biosynthesis are available for >2000 chemicals in single concentration and 654 chemicals in multi-concentration (mc). Previously, a metric descr...
Exploring genetic influences on adverse outcome pathways using heuristic simulation and graph data science [0.03%]
基于启发式模拟和图数据科学探究遗传因素对不良结果通路的影响
Joseph D Romano,Liang Mei,Jonathan Senn et al.
Joseph D Romano et al.
Adverse outcome pathways provide a powerful tool for understanding the biological signaling cascades that lead to disease outcomes following toxicity. The framework outlines downstream responses known as key events, culminating in a clinica...
Evaluating adaptive stress response gene signatures using transcriptomics [0.03%]
利用转录组学评估适应性应激反应基因标志物
Bryant Chambers,Imran Shah
Bryant Chambers
Stress response pathways (SRPs) mitigate the cellular effects of chemicals, but excessive perturbation can lead to adverse outcomes. Here, we investigated a computational approach to evaluate SRP activity from transcriptomic data using gene...
Comparing and contrasting the coverage of publicly available structural alerts for protein binding [0.03%]
比较和对比公开的可用于蛋白质结合的结构警戒物的报道情况
Mark D Nelms,Ryan Lougee,David W Roberts et al.
Mark D Nelms et al.
The molecular initiating event for many mechanisms of toxicological action comprise the reactive, covalent binding between an exogenous electrophile and an endogenous nucleophile. The target sites for electrophiles are typically peptides, p...
Towards systematic read-across using Generalised Read-Across (GenRA) [0.03%]
基于广义读 Across(GenRA) 的系统性读取方法研究
Grace Patlewicz,Imran Shah
Grace Patlewicz
Read-across continues to be a popular data gap filling technique within category and analogue approaches. One of the main issues hindering read-across acceptance is the notion of addressing and reducing uncertainties. Frameworks and formats...
Evaluating the utility of a high throughput thiol-containing fluorescent probe to screen for reactivity: A case study with the Tox21 library [0.03%]
评估高通量含硫荧光探针的实用性以筛选与毒21文库反应的化合物：一例研究
Grace Patlewicz,Katie Paul-Friedman,Keith Houck et al.
Grace Patlewicz et al.
High-throughput screening (HTS) assays for bioactivity in the Tox21 program aim to evaluate an array of different biological targets and pathways, but a significant barrier to interpretation of these data is the lack of high-throughput scre...
Repeat-dose toxicity prediction with Generalized Read-Across (GenRA) using targeted transcriptomic data: A proof-of-concept case study [0.03%]
基于靶向转录组数据的广义类比方法（GenRA）在重复剂量毒性预测中的应用：概念验证案例研究
Tia Tate,John Wambaugh,Grace Patlewicz et al.
Tia Tate et al.
Read-across is a data gap filling technique utilized to predict the toxicity of a target chemical using data from similar analogues. Recent efforts such as Generalized Read-Across (GenRA) facilitate automated read-across predictions for unt...