Search Results - "Wambaugh, John F"

The CompTox Chemistry Dashboard: a community data resource for environmental chemistry by Williams, Antony J., Grulke, Christopher M., Edwards, Jeff, McEachran, Andrew D., Mansouri, Kamel, Baker, Nancy C., Patlewicz, Grace, Shah, Imran, Wambaugh, John F., Judson, Richard S., Richard, Ann M.

“…Despite an abundance of online databases providing access to chemical data, there is increasing demand for high - quality, structure - curated, open data to…”
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httk: R Package for High-Throughput Toxicokinetics by Pearce, Robert G, Setzer, R Woodrow, Strope, Cory L, Wambaugh, John F, Sipes, Nisha S

“…Thousands of chemicals have been profiled by high-throughput screening programs such as ToxCast and Tox21; these chemicals are tested in part because most of…”
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Integrating tools for non-targeted analysis research and chemical safety evaluations at the US EPA by Sobus, Jon R., Wambaugh, John F., Isaacs, Kristin K., Williams, Antony J., McEachran, Andrew D., Richard, Ann M., Grulke, Christopher M., Ulrich, Elin M., Rager, Julia E., Strynar, Mark J., Newton, Seth R.

“…Tens-of-thousands of chemicals are registered in the U.S. for use in countless processes and products. Recent evidence suggests that many of these chemicals…”
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High Throughput Heuristics for Prioritizing Human Exposure to Environmental Chemicals by Wambaugh, John F, Wang, Anran, Dionisio, Kathie L, Frame, Alicia, Egeghy, Peter, Judson, Richard, Setzer, R. Woodrow

“…The risk posed to human health by any of the thousands of untested anthropogenic chemicals in our environment is a function of both the hazard presented by the…”
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A Liver-Centric Multiscale Modeling Framework for Xenobiotics by Sluka, James P, Fu, Xiao, Swat, Maciej, Belmonte, Julio M, Cosmanescu, Alin, Clendenon, Sherry G, Wambaugh, John F, Glazier, James A

“…We describe a multi-scale, liver-centric in silico modeling framework for acetaminophen pharmacology and metabolism. We focus on a computational model to…”
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Suspect Screening Analysis of Chemicals in Consumer Products by Phillips, Katherine A, Yau, Alice, Favela, Kristin A, Isaacs, Kristin K, McEachran, Andrew, Grulke, Christopher, Richard, Ann M, Williams, Antony J, Sobus, Jon R, Thomas, Russell S, Wambaugh, John F

“…A two-dimensional gas chromatography-time-of-flight/mass spectrometry (GC×GC-TOF/MS) suspect screening analysis method was used to rapidly characterize…”
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Linking high resolution mass spectrometry data with exposure and toxicity forecasts to advance high-throughput environmental monitoring by Rager, Julia E., Strynar, Mark J., Liang, Shuang, McMahen, Rebecca L., Richard, Ann M., Grulke, Christopher M., Wambaugh, John F., Isaacs, Kristin K., Judson, Richard, Williams, Antony J., Sobus, Jon R.

“…There is a growing need in the field of exposure science for monitoring methods that rapidly screen environmental media for suspect contaminants. Measurement…”
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Using the concordance of in vitro and in vivo data to evaluate extrapolation assumptions by Honda, Gregory S, Pearce, Robert G, Pham, Ly L, Setzer, R W, Wetmore, Barbara A, Sipes, Nisha S, Gilbert, Jon, Franz, Briana, Thomas, Russell S, Wambaugh, John F

“…Linking in vitro bioactivity and in vivo toxicity on a dose basis enables the use of high-throughput in vitro assays as an alternative to traditional animal…”
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Toxicokinetic Triage for Environmental Chemicals by Wambaugh, John F, Wetmore, Barbara A, Pearce, Robert, Strope, Cory, Goldsmith, Rocky, Sluka, James P, Sedykh, Alexander, Tropsha, Alex, Bosgra, Sieto, Shah, Imran, Judson, Richard, Thomas, Russell S, Setzer, R Woodrow

“…Toxicokinetic (TK) models link administered doses to plasma, blood, and tissue concentrations. High-throughput TK (HTTK) performs in vitro to in vivo…”
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Database of pharmacokinetic time-series data and parameters for 144 environmental chemicals by Sayre, Risa R., Wambaugh, John F., Grulke, Christopher M.

“…Time courses of compound concentrations in plasma are used in chemical safety analysis to evaluate the relationship between external administered doses and…”
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Integration of Dosimetry, Exposure, and High-Throughput Screening Data in Chemical Toxicity Assessment by Wetmore, Barbara A., Wambaugh, John F., Ferguson, Stephen S., Sochaski, Mark A., Rotroff, Daniel M., Freeman, Kimberly, Clewell, Harvey J., Dix, David J., Andersen, Melvin E., Houck, Keith A., Allen, Brittany, Judson, Richard S., Singh, Reetu, Kavlock, Robert J., Richard, Ann M., Thomas, Russell S.

“…High-throughput in vitro toxicity screening can provide an efficient way to identify potential biological targets for chemicals. However, relying on nominal…”
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Empirical models for anatomical and physiological changes in a human mother and fetus during pregnancy and gestation by Kapraun, Dustin F, Wambaugh, John F, Setzer, R Woodrow, Judson, Richard S

“…Many parameters treated as constants in traditional physiologically based pharmacokinetic models must be formulated as time-varying quantities when modeling…”
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Computational Exposure Science: An Emerging Discipline to Support 21st-Century Risk Assessment by Egeghy, Peter P, Sheldon, Linda S, Isaacs, Kristin K, Özkaynak, Halûk, Goldsmith, Michael-Rock, Wambaugh, John F, Judson, Richard S, Buckley, Timothy J

“…Computational exposure science represents a frontier of environmental science that is emerging and quickly evolving. In this commentary, we define this…”
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High-throughput screening tools facilitate calculation of a combined exposure-bioactivity index for chemicals with endocrine activity by Wegner, Susanna H., Pinto, Caroline L., Ring, Caroline L., Wambaugh, John F.

“…•High-throughput tools predict chemical bioactivity, exposure, and toxicokinetics.•Exposure to diverse estrogen receptor active chemicals can occur in…”
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Cutting-edge computational chemical exposure research at the U.S. Environmental Protection Agency by Buckley, Timothy J., Egeghy, Peter P., Isaacs, Kristin, Richard, Ann M., Ring, Caroline, Sayre, Risa R., Sobus, Jon R., Thomas, Russell S., Ulrich, Elin M., Wambaugh, John F., Williams, Antony J.

“…[Display omitted] •Computational approaches are needed to transform exposure science for chemical evaluation at scale of commercialization.•Core elements of…”
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A regression analysis using simple descriptors for multiple dermal datasets: Going from individual membranes to the full skin by Evans, Marina V., Moxon, Thomas E., Lian, Guoping, Deacon, Benjamin N., Chen, Tao, Adams, Linda D., Meade, Annabel, Wambaugh, John F.

“…In silico methods to estimate and/or quantify skin absorption of chemicals as a function of chemistry are needed to realistically predict pharmacological,…”
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Development and evaluation of a high throughput inhalation model for organic chemicals by Linakis, Matthew W., Sayre, Risa R., Pearce, Robert G., Sfeir, Mark A., Sipes, Nisha S., Pangburn, Heather A., Gearhart, Jeffery M., Wambaugh, John F.

“…Currently it is difficult to prospectively estimate human toxicokinetics (particularly for novel chemicals) in a high-throughput manner. The R software package…”
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Estimating provisional margins of exposure for data-poor chemicals using high-throughput computational methods by Nicolas, Chantel I., Linakis, Matthew W., Minto, Melyssa S., Mansouri, Kamel, Clewell, Rebecca A., Yoon, Miyoung, Wambaugh, John F., Patlewicz, Grace, McMullen, Patrick D., Andersen, Melvin E., Clewell III, Harvey J.

“…Current computational technologies hold promise for prioritizing the testing of the thousands of chemicals in commerce. Here, a case study is presented…”
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High-throughput toxicogenomic screening of chemicals in the environment using metabolically competent hepatic cell cultures by Franzosa, Jill A., Bonzo, Jessica A., Jack, John, Baker, Nancy C., Kothiya, Parth, Witek, Rafal P., Hurban, Patrick, Siferd, Stephen, Hester, Susan, Shah, Imran, Ferguson, Stephen S., Houck, Keith A., Wambaugh, John F.

“…The ToxCast in vitro screening program has provided concentration-response bioactivity data across more than a thousand assay endpoints for thousands of…”
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A Machine Learning Model to Estimate Toxicokinetic Half-Lives of Per- and Polyfluoro-Alkyl Substances (PFAS) in Multiple Species by Dawson, Daniel E, Lau, Christopher, Pradeep, Prachi, Sayre, Risa R, Judson, Richard S, Tornero-Velez, Rogelio, Wambaugh, John F

“…Per- and polyfluoroalkyl substances (PFAS) are a diverse group of man-made chemicals that are commonly found in body tissues. The toxicokinetics of most PFAS…”
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