Advancing computational toxicology by interpretable machine learning

X Jia, T Wang, H Zhu - Environmental Science & Technology, 2023‏ - ACS Publications
Chemical toxicity evaluations for drugs, consumer products, and environmental chemicals
have a critical impact on human health. Traditional animal models to evaluate chemical …

[HTML][HTML] (Eco) toxicological tests for assessing impacts of chemical stress to aquatic ecosystems: facts, challenges, and future

LM Schuijt, FJ Peng, SJP van den Berg… - Science of the total …, 2021‏ - Elsevier
Monitoring of chemicals in the aquatic environment by chemical analysis alone cannot
completely assess and predict the effects of chemicals on aquatic species and ecosystems …

Adverse outcome pathways: opportunities, limitations and open questions

M Leist, A Ghallab, R Graepel, R Marchan… - Archives of …, 2017‏ - Springer
Adverse outcome pathways (AOPs) are a recent toxicological construct that connects, in a
formalized, transparent and quality-controlled way, mechanistic information to apical …

Adverse outcome pathway networks I: Development and applications

D Knapen, MM Angrish, MC Fortin… - Environmental …, 2018‏ - academic.oup.com
Based on the results of a Horizon Scanning exercise sponsored by the Society of
Environmental Toxicology and Chemistry that focused on advancing the adverse outcome …

[HTML][HTML] Metabolomics in environmental toxicology: Applications and challenges

C Bedia - Trends in Environmental Analytical Chemistry, 2022‏ - Elsevier
Metabolomics is a discipline aiming to characterize the presence of metabolites in biological
matrices under specific conditions. In recent years, metabolomics has increasingly been …

[HTML][HTML] From the exposome to mechanistic understanding of chemical-induced adverse effects

BI Escher, J Hackermüller, T Polte, S Scholz… - Environment …, 2017‏ - Elsevier
The exposome encompasses an individual's exposure to exogenous chemicals, as well as
endogenous chemicals that are produced or altered in response to external stressors. While …

Machine learning in predictive toxicology: recent applications and future directions for classification models

MWH Wang, JM Goodman… - Chemical research in …, 2020‏ - ACS Publications
In recent times, machine learning has become increasingly prominent in predictive
toxicology as it has shifted from in vivo studies toward in silico studies. Currently, in vitro …

Adverse outcome pathways—organizing toxicological information to improve decision making

SW Edwards, YM Tan, DL Villeneuve, ME Meek… - The Journal of …, 2016‏ - Elsevier
The number of chemicals for which environmental regulatory decisions are required far
exceeds the current capacity for toxicity testing. High-throughput screening commonly used …

Adverse outcome pathways: a concise introduction for toxicologists

M Vinken, D Knapen, L Vergauwen, JG Hengstler… - Archives of …, 2017‏ - Springer
Adverse outcome pathways (AOPs) are designed to provide a clear-cut mechanistic
representation of critical toxicological effects that propagate over different layers of biological …

Ecdysone receptor agonism leading to lethal molting disruption in arthropods: review and adverse outcome pathway development

Y Song, DL Villeneuve, K Toyota, T Iguchi… - … science & technology, 2017‏ - ACS Publications
Molting is critical for growth, development, reproduction, and survival in arthropods.
Complex neuroendocrine pathways are involved in the regulation of molting and may …