In silico toxicology: From structure–activity relationships towards deep learning and adverse outcome pathways

J Hemmerich, GF Ecker - Wiley Interdisciplinary Reviews …, 2020 - Wiley Online Library
In silico toxicology is an emerging field. It gains increasing importance as research is aiming
to decrease the use of animal experiments as suggested in the 3R principles by Russell and …

Application of radiation omics in the development of adverse outcome pathway networks: an example of radiation-induced cardiovascular disease

O Azimzadeh, S Moertl, R Ramadan… - … Journal of Radiation …, 2022 - Taylor & Francis
Background Epidemiological studies have indicated that exposure of the heart to doses of
ionizing radiation as low as 0.5 Gy increases the risk of cardiac morbidity and mortality with …

CTD tetramers: a new online tool that computationally links curated chemicals, genes, phenotypes, and diseases to inform molecular mechanisms for environmental …

AP Davis, TC Wiegers, J Wiegers, B Wyatt… - Toxicological …, 2023 - academic.oup.com
The molecular mechanisms connecting environmental exposures to adverse endpoints are
often unknown, reflecting knowledge gaps. At the Comparative Toxicogenomics Database …

Harnessing Computational Methods to Characterize Chemical Impacts on Biodiversity

MB Kosnik, N Schuwirth, A Rico - Environmental Science & …, 2024 - ACS Publications
Chemical pollution can threaten biodiversity at different levels, from genetically diverse
populations (genetic diversity) to different species (species diversity) and ecosystem …

The 2021 update of the EPA's adverse outcome pathway database

HM Mortensen, J Senn, T Levey, P Langley… - Scientific Data, 2021 - nature.com
The EPA developed the Adverse Outcome Pathway Database (AOP-DB) to better
characterize adverse outcomes of toxicological interest that are relevant to human health …

Integration of computational toxicology, toxicogenomics data mining, and omics techniques to unveil toxicity pathways

X Wang, F Li, J Chen, C Ji, H Wu - ACS Sustainable Chemistry & …, 2021 - ACS Publications
Growing numbers of synthetic chemicals have potential endocrine-disrupting effects and
cause potential ecological and health risks. However, the primary toxicity pathways and …

Chemical-induced phenotypes at CTD help inform the predisease state and construct adverse outcome pathways

AP Davis, TC Wiegers, J Wiegers… - Toxicological …, 2018 - academic.oup.com
Abstract The Comparative Toxicogenomics Database (CTD; http://ctdbase. org) is a public
resource that manually curates the scientific literature to provide content that illuminates the …

Optimization of a deep-learning method based on the classification of images generated by parameterized deep snap a novel molecular-image-input technique for …

Y Matsuzaka, Y Uesawa - Frontiers in bioengineering and …, 2019 - frontiersin.org
Numerous chemical compounds are distributed around the world and may affect the
homeostasis of the endocrine system by disrupting the normal functions of hormone …

Leveraging the comparative toxicogenomics database to fill in knowledge gaps for environmental health: a test case for air pollution-induced cardiovascular disease

AP Davis, TC Wiegers, CJ Grondin… - Toxicological …, 2020 - academic.oup.com
Environmental health studies relate how exposures (eg, chemicals) affect human health and
disease; however, in most cases, the molecular and biological mechanisms connecting an …

Providing adverse outcome pathways from the AOP-wiki in a semantic web format to increase usability and accessibility of the content

M Martens, CT Evelo, EL Willighagen - Applied In Vitro Toxicology, 2022 - liebertpub.com
Introduction: The AOP-Wiki is the main platform for the development and storage of adverse
outcome pathways (AOPs). These AOPs describe mechanistic information about …