The Tox21 10K compound library: collaborative chemistry advancing toxicology

AM Richard, R Huang, S Waidyanatha… - Chemical Research …, 2020 - ACS Publications
Since 2009, the Tox21 project has screened∼ 8500 chemicals in more than 70 high-
throughput assays, generating upward of 100 million data points, with all data publicly …

Toxicity testing in the 21st century: progress in the past decade and future perspectives

D Krewski, ME Andersen, MG Tyshenko… - Archives of …, 2020 - Springer
Advances in the biological sciences have led to an ongoing paradigm shift in toxicity testing
based on expanded application of high-throughput in vitro screening and in silico methods …

Modelling the Tox21 10 K chemical profiles for in vivo toxicity prediction and mechanism characterization

R Huang, M Xia, S Sakamuru, J Zhao… - Nature …, 2016 - nature.com
Target-specific, mechanism-oriented in vitro assays post a promising alternative to
traditional animal toxicology studies. Here we report the first comprehensive analysis of the …

Tox21Challenge to build predictive models of nuclear receptor and stress response pathways as mediated by exposure to environmental chemicals and drugs

R Huang, M Xia, DT Nguyen, T Zhao… - Frontiers in …, 2016 - frontiersin.org
Tens of thousands of chemicals with poorly understood biological properties are released
into the environment each day. High-throughput screening (HTS) is potentially a more …

GGL-Tox: geometric graph learning for toxicity prediction

J Jiang, R Wang, GW Wei - Journal of chemical information and …, 2021 - ACS Publications
Toxicity analysis is a major challenge in drug design and discovery. Recently significant
progress has been made through machine learning due to its accuracy, efficiency, and lower …

Exploring the biological activity and mechanism of xenoestrogens and phytoestrogens in cancers: emerging methods and concepts

X Wang, D Ha, R Yoshitake, YS Chan… - International journal of …, 2021 - mdpi.com
Xenoestrogens and phytoestrogens are referred to as “foreign estrogens” that are produced
outside of the human body and have been shown to exert estrogen-like activity …

[HTML][HTML] Paroxetine—the antidepressant from hell? Probably not, but caution required

RM Nevels, ST Gontkovsky… - Psychopharmacology …, 2016 - ncbi.nlm.nih.gov
Paroxetine, also known by the trade names Aropax, Paxil, Pexeva, Seroxat, Sereupin and
Brisdelle, was first marketed in the US in 1992. Effective for major depression and various …

Paroxetine—overview of the molecular mechanisms of action

M Kowalska, J Nowaczyk, Ł Fijałkowski… - International Journal of …, 2021 - mdpi.com
In the 21st century and especially during a pandemic, the diagnosis and treatment of
depression is an essential part of the daily practice of many family doctors. It mainly affects …

Rapid antimicrobial susceptibility test for identification of new therapeutics and drug combinations against multidrug-resistant bacteria

W Sun, RA Weingarten, M Xu, N Southall… - Emerging microbes & …, 2016 - Taylor & Francis
Current antimicrobial susceptibility testing has limited screening capability for identifying
empirical antibiotic combinations to treat severe bacterial infections with multidrug-resistant …

Comprehensive analyses and prioritization of Tox21 10K chemicals affecting mitochondrial function by in-depth mechanistic studies

M Xia, R Huang, Q Shi, WA Boyd, J Zhao… - Environmental …, 2018 - ehp.niehs.nih.gov
Background: A central challenge in toxicity testing is the large number of chemicals in
commerce that lack toxicological assessment. In response, the Tox21 program is re-focusing …