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
… Mechanistic toxicology revolves around investigating the … However, all case-studies show
that the approach is highly … This is summarized in a final review of the conducted case studies …
that the approach is highly … This is summarized in a final review of the conducted case studies …
Graph attention convolutional neural network model for chemical poisoning of honey bees' prediction
… acute toxicity and oral acute toxicity … models more flexible for better performance. We
combined UG and CNN with the attention mechanism to construct our deep GACNN learning model …
combined UG and CNN with the attention mechanism to construct our deep GACNN learning model …
Quantitative adverse outcome pathway (qAOP) models for toxicity prediction
N Spinu, MTD Cronin, SJ Enoch, JC Madden… - … of toxicology, 2020 - Springer
… Mechanistic qAOP models utilise mathematical functions … in understanding the mechanism
of toxicity and associated … population level, and organ toxicity, eg chronic kidney disease, …
of toxicity and associated … population level, and organ toxicity, eg chronic kidney disease, …
Approaches to test the neurotoxicity of environmental contaminants in the zebrafish model: From behavior to molecular mechanisms
JA Fitzgerald, S Könemann… - … Toxicology and …, 2021 - Wiley Online Library
… Such validation tests are of utmost importance for uncovering the mechanism of toxicity
and for the development of novel biomarkers, in particular with regard to neurotoxicity. …
and for the development of novel biomarkers, in particular with regard to neurotoxicity. …
… mechanism of Qingfei Paidu Decoction and Ma Xing Shi Gan Decoction against Coronavirus Disease 2019 (COVID-19): in silico and experimental study
R Yang, H Liu, C Bai, Y Wang, X Zhang, R Guo… - Pharmacological …, 2020 - Elsevier
… network model of QFPD, established by predicting and collecting the targets of identified
compounds, indicated a pivotal role … the syndrome of dirty-toxicity blocking lung and the …
compounds, indicated a pivotal role … the syndrome of dirty-toxicity blocking lung and the …
A next-generation risk assessment case study for coumarin in cosmetic products
MT Baltazar, S Cable, PL Carmichael… - Toxicological …, 2020 - academic.oup.com
… Systemic toxicity was assessed using a battery of in vitro NAMs to identify points of …
case study demonstrated the value of integrating exposure science, computational modeling …
case study demonstrated the value of integrating exposure science, computational modeling …
Toxicity testing in the 21st century: progress in the past decade and future perspectives
D Krewski, ME Andersen, MG Tyshenko… - … of toxicology, 2020 - Springer
… Case study prototypes indicating how these new approaches to toxicity testing, exposure …
developed to aid the use of mechanistic studies in chemical risk assessment and especially …
developed to aid the use of mechanistic studies in chemical risk assessment and especially …
[HTML][HTML] Species sensitivity to toxic substances: Evolution, ecology and applications
… Here we highlight how mechanistic information that is increasingly available for a range of
… support more mechanistically driven toxicology including by the identification and analysis of …
… support more mechanistically driven toxicology including by the identification and analysis of …
[HTML][HTML] A critical perspective on 3D liver models for drug metabolism and toxicology studies
AS Serras, JS Rodrigues, M Cipriano… - Frontiers in cell and …, 2021 - frontiersin.org
… by presenting a comparative analysis of the IC 50 values for cytotoxicity and mechanistic
endpoints, obtained either with two-dimensional (2D) and 3D in vitro systems for the classical …
endpoints, obtained either with two-dimensional (2D) and 3D in vitro systems for the classical …
TCM network pharmacology: a new trend towards combining computational, experimental and clinical approaches
W Xin, W Zi-Yi, JH Zheng, LI Shao - Chinese journal of natural medicines, 2021 - Elsevier
… A systematic analysis of the network regulation mechanism of 47 health-strengthening (Fu-Zheng)
TCM herbs commonly used in cancer treatment was carried out, suggesting the …
TCM herbs commonly used in cancer treatment was carried out, suggesting the …