Office of Research and Development Publications

Next >>

The US-EPA CompTox Chemicals Dashboard (https://comptox.epa.gov/dashboard) is a web-based application providing access to various types of data associated with ~880,000 chemical substances. These data include in vivo hazard and in vitro bioactivity data, experimental physicochemi...

The CompTox Chemicals Dashboard (available at https://comptox.epa.gov/dashboard) is the latest in a suite of dashboards that have been delivered to the community by EPA’s National Center for Computational Toxicology. The dashboard delivers access to data for >875,000 che...

New approach methodologies are being explored for their ability to quickly evaluate the human toxicity potential of chemicals with less reliance on animal testing using ToxCast/Tox21 generated in vitro data on thousands of chemicals utilizing high-throughput screening (HTS) assay...

One of the key challenges to using in vitro data for risk assessment is differentiating adaptive from adverse cellular responses. We studied the effects of hundreds of chemicals in primary rat hepatocytes using high-content imaging (HCI) to measure dose and time-dependent perturb...

Computational approaches have recently gained popularity in the field of read-across to automatically fill data-gaps for untested chemicals. To this end, we developed a generalized read-across (GenRA) approach, which utilizes chemical descriptor information and/or in vitro bioact...

High resolution mass spectrometry (HRMS) and non-targeted analysis (NTA) are improving exposure analyses by advancing means for identifying emerging contaminants in environmental matrices. However, confidence in structure identification of unknowns in NTA presents challenges to ...

The EPA's National Center for Computational Toxicology research programs focus on developing the tools, approaches and data needed to accelerate the pace of chemical risk assessment and foster incorporation of non-traditional toxicity testing data into regulatory decision-making ...

The Computational Toxicology (CompTox) Chemicals Dashboard is a “first-stop-shop” for chemistry, toxicity and exposure for over 875,000 chemicals. This information is available to support federal agencies, state environmental and health agencies, international governm...

The Environmental and Occupational Health Sciences Institute at Rutgers University is hosting a 1-day workshop on Chemical Risk Assessment using Computational Methods. Topics will include new approach methods, evidence integration, trends in machine learning, computational toxico...

ToxCast and Tox21 have generated a lot of publicly available bioactivity data for hazard screening and prediction. Publicly available data from ToxCast is actively being applied to endocrine hazard labeling in the EU. Risk-based approaches that incorporate bioactivity and exposur...

The US EPA are mandated by the Toxic Substances Control Act (TSCA) to perform risk-based prioritisation of chemicals and, for high-priority substances, integrate toxicity and exposure information to develop risk evaluations. One approach under consideration for chemicals with lim...

The biomedical literature contains an abundance of information about the activity of chemicals in biological systems. The goal of literature informatics research at the EPA’s National Center for Computational Toxicology is to use the literature more effectively in computati...

Human health assessment of environmental chemical mixtures has perpetually been limited by the availability of adverse health outcome data to inform hazard and dose-response assessment. That is, traditional mixtures assessment theory and practice, such as dose additivity, places ...

Non-targeted screening, targeted screening and suspect screening, as well as “Known Unknowns” and “Unknown Unknowns” are now common terms in the field of water analysis. While mass spectrometry data processing can be highly automated, the identification of...

New approach methodologies to traditional animal testing are currently being developed and evaluated for use in chemical safety risk assessment, including chemicals used in food. These alternatives include in vitro high-throughput screening (HTS) assays, such as the ToxCast and T...

Prediction of potential chemical-induced endocrine hazard and/or risk is relevant for chemical safety assessment internationally, and there are a number of publicly available tools for this purpose. A workflow for understanding chemical endocrinicity should begin with assessment ...

Changes in regulations in the industrial chemicals and cosmetics sectors in recent years have prompted a significant number of advances in the development, application, and assessment of non-testing approaches, such as (Q)SARs and read-across. Many efforts have also been undertak...

Retinoid signaling plays an important role in vertebrate embryo-fetal development and its disruption is teratogenic. The retinoic acid (RA) pathway controls retinoid homeostasis and regulates embryonic cell fate via nuclear receptor (RAR, RXR) activation. The RA pathway thus serv...

Currently no single method or strategy is generally accepted for the detection of respiratory sensitizers, despite public health and regulatory needs. An Adverse Outcome Pathway (AOP) for respiratory tract sensitization by low molecular weight organic chemicals has been published...

Computer modeling and simulation of complex dynamical systems can provide a virtual framework for translating biomolecular lesions into critical phenomena underlying developmental processes and toxicities. In silico cell agent-based models (ABMs) may be executed to simulate how b...

This workshop will cover new approach methodologies for exposure assessment as available from the EPA’s CompTox Chemistry Dashboard (http://comptox.epa.gov). The objective of the course is to provide the attendees with specific examples of how Dashboard tools can be used to...

The United States Environmental Protection Agency (USEPA) is exploring the use of new approach methodologies (NAMs) for rapid bioactivity screening and hazard evaluation. The first tier of the screening strategy specifies the use of high-throughput profiling methods, i.e. high-th...

Carcinogenicity and mutagenicity are among the toxicological end points that pose the highest concern for human health and are subject to regulatory assessment. Integrated approaches to testing and assessment (IATA) are applied to evaluate the genotoxic potential of chemicals usi...

With an increasing number of chemicals to assess for acute systemic toxicity potential and a lack of available in vitro approaches, in silico models provide an alternative to predict acute oral toxicity and bridge data gaps. NICEATM and the ICCVAM Acute Toxicity Workgroup organiz...

Morphogenesis is mediated by coordinated action of cells interacting with one another and their micro-environment through systems of genetic signals and responses that are potentially vulnerable to chemical disruption. Computer models that integrate high-dimensional data on chemi...