ii DISCLAIMER The use of company or product name(s) is for identification only and does not imply endorsement by the Agency for Toxic Substances and Disease Registry. This public law directed the Agency for Toxic Substances and Disease Registry (ATSDR) to prepare toxicological profiles for hazardous substances which are most commonly found at facilities on the CERCLA National Priorities List an...

Over the past decades, pharmaceutical companies have conducted a large number of high-quality in vivo repeat-dose toxicity (RDT) studies for regulatory purposes. As part of the eTOX project, a high number of these studies have been compiled and integrated into a database. This valuable resource can be queried directly, but it can be further exploited to build predictive models. As the studies w...

Non-steroidal anti-inflammatory drugs (NSAIDs) have commonly been associated with upper gastrointestinal (GI) tract side effects including a high incidence of gastric and duodenal ulceration. Recent reports implicate NSAID use and mucosal injury in the small and large intestine. A trend in NSAID development has been an attempt to improve therapeutic efficacy and reduce the severity of upper GI ...

The challenge and opportunity for design of environmentally-benign ionic liquids (ILs) would start from prediction of their toxicological effects on several endpoints solely based on the structural formulas. Especially, a comprehensive yet simple equation able to predict several biological responses to IL toxicity is of much advantage. Therefore, based on 50 toxicity testing systems on ILs a co...

Validation has become a primary driver of the evolution of toxicological methods. Agreement at OECD level currently requires validation of new approaches for consideration in test guideline development. Several examples of this exist. However, the toxicology in the 21(st) century movement, prompted by the 2007 NRC/NAS vision document, might lead to a revolutionary change in the toxicological to...

OBJECTIVE To analyze the toxicological risk of exposure to ozone (O3) and fine particulate matter (PM2.5) among schoolchildren.. METHODS Toxicological risk assessment was used to evaluate the risk of exposure to O3 and PM2.5 from biomass burning among schoolchildren aged six to 14 years, residents of Rio Branco, Acre, Southern Amazon, Brazil. We used Monte Carlo simulation to estimate the pot...

Due to the abundance of nanomaterials in medical devices and everyday products, toxicological effects related to nanoparticles released from these materials, e.g., by mechanical wear, are a growing matter of concern. Unfortunately, appropriate nanoparticles required for systematic toxicological evaluation of these materials are still lacking. Here, the ubiquitous presence of surface ligands, re...

Transformation products usually differ in environmental and toxicological properties compared to the parent contaminants, thus causing potential and unknown environmental risks. To elucidate differential chiral recognition of the aryloxypropanoate herbicide quizalofop ethyl (QE) and its primary product (quizalofop acid, QA), their enantiomeric separation and toxicological impacts to two freshwa...

OBJECTIVE To review the available evidence evaluating the toxicological profiles of electronic cigarettes (e-cigarettes) in order to understand the potential impact of e-cigarettes on individual users and the public health. METHODS Systematic literature searches were conducted between October 2012 and October 2013 using five electronic databases. Search terms such as 'e-cigarettes' and 'elect...

Citation: Koutsoukas A, St. Amand J, Mishra M and Huan J (2016) Predictive Toxicology: Modeling Chemical Induced Toxicological Response Combining Circular Fingerprints with Random Forest and Support Vector Machine. Front. Environ. Sci. 4:11. doi: 10.3389/fenvs.2016.00011 Predictive Toxicology: Modeling Chemical Induced Toxicological Response Combining Circular Fingerprints with Random Forest an...