STopTox: An in Silico Alternative to Animal Testing for Acute Systemic and Topical Toxicity.

Joyce Villa Verde Bastos Borba Vinicius M AlvesRodolpho C BragaDaniel R KornKirsten OverdahlArthur C Silva Steven U S HallErik OverdahlNicole C KleinstreuerJudy StricklandDavid AllenCarolina Horta Andrade Eugene N Muratov Alexander Trospsha

Published in: Environmental health perspectives (2022)

6-pack tests for predicting the toxicity hazard of small organic molecules. Models were established following the best practices for the development and validation of QSAR models. Scientists and regulators can use the STopTox portal to identify putative toxicants or nontoxicants in chemical libraries of interest. https://doi.org/10.1289/EHP9341.

Keyphrases

molecular docking
oxidative stress
liver failure
primary care
healthcare
drug induced
respiratory failure
molecular dynamics
transcription factor
aortic dissection
intensive care unit