Results 11 to 20 of about 2,703,446 (282)

Decoding per- and polyfluoroalkyl substances (PFAS) in hepatocellular carcinoma: a multi-omics and computational toxicology approach [PDF]

J Transl Med
Per- and polyfluoroalkyl substances (PFAS), particularly perfluorooctanoic acid (PFOA) and perfluorooctane sulfonate (PFOS), are synthetic chemicals known for their widespread use and environmental persistence.
Yanggang Hong, Deqi Wang, Zeyu Liu, Yuxin Chen, Yi Wang, Jiajun Li   +5 more
semanticscholar   +2 more sources

Computational toxicology in drug discovery: applications of artificial intelligence in ADMET and toxicity prediction [PDF]

Brief Bioinform
Toxicity risk assessment plays a crucial role in determining the clinical success and market potential of drug candidates. Traditional animal-based testing is costly, time-consuming, and ethically controversial, which has led to the rapid development of ...
Jiangyan Zhang, Haolin Li, Yuncong Zhang, Junyang Huang, Liping Ren, Chuantao Zhang, Quan Zou, Yang Zhang   +7 more
semanticscholar   +2 more sources

ToxicR: A computational platform in R for computational toxicology and dose-response analyses. [PDF]

Comput Toxicol, 2022
M. Wheeler, Sooyeon Lim, J. House, K. Shockley, A. J. Bailer, J. Fostel, Longlong Yang, Dawan Talley, Ashwin Raghuraman, Jeffery S. Gift, J. A. Davis, S. Auerbach, A. Motsinger-Reif   +12 more
semanticscholar   +2 more sources

Use of computational toxicology tools to predict in vivo endpoints associated with Mode of Action and the endocannabinoid system: A case study with chlorpyrifos, chlorpyrifos-oxon and Δ9Tetrahydrocannabinol [PDF]

Curr Res Toxicol, 2022
Marilyn H. Silva, R. K. Kwok
semanticscholar   +2 more sources

Current Knowledge on the Use of Computational Toxicology in Hazard Assessment of Metallic Engineered Nanomaterials [PDF]

Int J Mol Sci, 2017
As listed by the European Chemicals Agency, the three elements in evaluating the hazards of engineered nanomaterials (ENMs) include the integration and evaluation of toxicity data, categorization and labeling of ENMs, and derivation of hazard threshold ...
Guangchao Chen, W. Peijnenburg, Yin-long Xiao, M. Vijver   +3 more
semanticscholar   +2 more sources

Efficiency of pharmaceutical toxicity prediction in computational toxicology [PDF]

Toxicol Res
Y. Uesawa
semanticscholar   +2 more sources

EPA’s DSSTox database: History of development of a curated chemistry resource supporting computational toxicology research [PDF]

Comput Toxicol, 2019
C. Grulke, Antony J. Williams, Inthirany Thillanadarajah, A. Richard   +3 more
semanticscholar   +2 more sources

NNI Nanoinformatics Conference 2023: Movement Toward a Common Infrastructure for Federal nanoEHS Data Computational Toxicology: Short Communication. [PDF]

Comput Toxicol
Holly M Mortensen, Jaleesia D. Amos, Thomas E. Exner, Kenneth Flores, Stacey L. Harper, Annie M. Jarabek, Fred Klaessig, V. Lobaskin, I. Lynch, Christopher S Marcum, Marvin Martens, Branden Brough, Quinn Spadola, R. Bjorkland   +13 more
semanticscholar   +2 more sources

Big-data and machine learning to revamp computational toxicology and its use in risk assessment. [PDF]

Toxicol Res (Camb), 2018
T. Luechtefeld, C. Rowlands, T. Hartung
semanticscholar   +2 more sources

Progress in data interoperability to support computational toxicology and chemical safety evaluation. [PDF]

Toxicol Appl Pharmacol, 2019
S. Watford, Stephen W. Edwards, M. Angrish, R. Judson, K. Paul Friedman   +4 more
semanticscholar   +2 more sources