Office of Research and Development Publications

You are here:

EPA Home » ORD Publications » NCCT Publications » Author

National Center For Computational Toxicology (NCCT) Research Publications

Refine Your Search

Search Again

or try advanced search

Search Within

More Results

Records 1 to 25 of 78 records from [ORD-NCCT] published between 07/19/2013 and 07/19/2018 from author Christopher Grulke

2018
Grulke, Chris, A. Williams, R. Judson, AND R. Thomas. A Flexible Web-Interface for Integrating Multiple Data Streams in Support of Risk Prioritization of Environmental Chemicals. Presented at ACS, New Orleans, LA, March 18 - 22, 2018. https://doi.org/10.23645/epacomptox.6986996
Sayre, R., Woodrow Setzer, J. Wambaugh, AND Chris Grulke. A Method to Quantify Reproducibility in PBPK Model Methods and Results . Presented at OpenTox, RTP, NC, July 11 - 12, 2018. https://doi.org/10.23645/epacomptox.7080740
Williams, A., A. McEachran, J. Sobus, Chris Grulke, AND A. Richard. Accessing information for chemicals in hydraulic fracturing fluids using the US EPA CompTox Chemistry Dashboard. To be Presented at American Chemical Society Spring Meeting, New Orleans, LA, March 18 - 22, 2018. https://doi.org/10.23645/epacomptox.7072757
Schymanski, E., J. Hollender, Chris Grulke, AND A. Williams. Adding Complex Expert Knowledge into Chemical Databases: Transforming Surfactants in Wastewater. Presented at American Chemical Society Spring National meeting, New Orleans, LA, March 18 - 22, 2018. https://doi.org/10.23645/epacomptox.6852461
Mansouri, K., A. McEachran, Chris Grulke, A. Richard, R. Judson, AND A. Williams. Automated workflows for data curation and standardization of chemical structures for QSAR modeling. American Chemical Society Spring Meeting, New Orleans, LA, March 18 - 22, 2018.
Fourches, D., A. Williams, G. Patlewicz, I. Shah, Chris Grulke, J. Wambaugh, A. Richard, AND A. Tropsha. Computational tools for ADMET profiling. Chapter 8, Computational Toxicology: Risk Assessment for Chemicals. John Wiley & Sons Inc, Malden, MA, , 211-244, (2018). https://doi.org/10.1002/9781119282594.ch8
Williams, A., R. Judson, Chris Grulke, AND R. Thomas. Development of a Tool for Integrating Traditional and New Approach Methodologies (NAMs) for Chemical Safety Decisions. Presented at American Chemical Society Spring Meeting, New Orleans, LA, March 18 - 22, 2018. https://doi.org/10.23645/epacomptox.7019390
Judson, R., A. Williams, Chris Grulke, AND R. Thomas. Development of a Tool for Systematic Integration of Traditional and New Approach Methods for Prioritizing Chemical Lists. Society of Toxicology, San Antonio, TX, March 11 - 15, 2018.
Ulrich, E., J. Sobus, A. Richard, Chris Grulke, J. Wambaugh, S. Newton, A. McEachran, AND A. Williams. EPA’s Non-Targeted Analysis Research Program: Expanding public data resources in support of exposure science. Society of Toxicology, San Antonio, TX, March 11 - 15, 2018.
Grulke, Chris, A. Williams, AND A. Richard. Integration of Markush Structures into EPA’s DSSTox Database to Represent and Enumerate UVCB Substances. Presented at American Chemical Society Spring meeting, New Orleans, LA, March 18 - 22, 2018. https://doi.org/10.23645/epacomptox.6986933
Williams, A., Chris Grulke, A. McEachran, G. Patlewicz, I. Shah, J. Wambaugh, A. Richard, R. Judson, AND J. Edwards. New developments in delivering public access to data from the National Center for Computational Toxicology at the EPA. Presented at American Chemical Society Spring Meeting, New Orleans, LA, March 18 - 22, 2018.
Mansouri, K., C. Grulke, R. Judson, AND A. Williams. OPERA models for predicting physicochemical properties and environmental fate endpoints. Journal of Cheminformatics. Springer, New York, NY, 10:10, (2018). https://doi.org/10.1186/s13321-018-0263-1
Mansouri, K., Chris Grulke, R. Judson, AND A. Williams. OPERA: A free and open source QSAR tool for predicting physicochemical properties and environmental fate endpoints. Presented at American Chemical Society Spring 2018, New Orleans, LA, March 18 - 22, 2018.
Truong, L., G. Ouedraogo, L. Pham, J. Clouzeau, S. Loisel-Joubert, D. Blanchet, H. Noçairi, Woodrow Setzer, R. Judson, Chris Grulke, K. Mansouri, AND M. Martin. Predicting In Vivo Effect Levels for Repeat Dose Systemic Toxicity using Chemical, Biological, Kinetic and Study Covariates. Archives of Toxicology. Springer, New York, NY, 92(2):587-600, (2018).
Williams, A., Chris Grulke, J. Dunne, N. Baker, R. Judson, AND J. Edwards. Public access to chemistry and toxicity data for 760,000 substances via the EPA CompTox Chemistry Dashboard. Presented at Homeland Security Poster Session, RTP, NC, May 09, 2018. https://doi.org/10.23645/epacomptox.6945626
Nicolas, C., K. Mansouri, K. Phillips, Chris Grulke, A. Richard, A. Williams, J. Rabinowitz, K. Isaacs, A. Yau, AND J. Wambaugh. Rapid Experimental Estimates of Physicochemical Properties to Inform Models and Testing. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, 636:901-909, (2018). https://doi.org/10.1016/j.scitotenv.2018.04.266
Nicolas, C., K. Mansouri, K. Phillips, Chris Grulke, A. Richard, A. Williams, J. Rabinowitz, K. Isaacs, A. Yau, AND J. Wambaugh. Rapid collection of experimental physicochemical property data to inform various models and testing methods. American Chemical Society Annual Meeting, New Orleans,LA, March 18 - 22, 2018.
Pearce, R., R. Sayre, Woodrow Setzer, Chris Grulke, R. Thomas, AND J. Wambaugh. Replication of PBTK Models for Bisphenol A with High-Throughput TK Models. Presented at Society of Toxicology Annual Meeting, San Antonio, Texas, March 11 - 15, 2018. https://doi.org/10.23645/epacomptox.7017293
Williams, A., A. McEachran, Chris Grulke, S. Newton, K. Isaacs, K. Phillips, N. Baker, AND J. Sobus. Structure identification by Mass Spectrometry Non-Targeted Analysis using the US EPA’s CompTox Chemistry Dashboard. American Chemical Society Spring Meeting, New Orleans, LA, March 18 - 22, 2018.
Phillips, K., A. Yau, K. Favela, K. Isaacs, A. McEachran, Chris Grulke, A. Richard, A. Williams, J. Sobus, R. Thomas, AND J. Wambaugh. Suspect Screening Analysis of Chemicals in Consumer Products. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, 52(5):3125-3135, (2018). https://doi.org/10.1021/acs.est.7b04781
Williams, A., Chris Grulke, AND J. Edwards. The EPA Comptox Chemistry Dashboard: a web-based data integration hub for Environmental Chemistry Data (SOT). Presented at Society of Toxicology, San Antonio, TX, March 11 - 15, 2018. https://doi.org/10.23645/epacomptox.5176750
Williams, A., Chris Grulke, K. Mansouri, K. Dionisio, K. Phillips, G. Patlewicz, I. Shah, K. Isaacs, T. Martin, J. Wambaugh, A. Richard, AND R. Judson. The US EPA CompTox Chemistry Dashboard as a source of data to fill data gaps for chemical sources of risk. Presented at American Chemical Society Spring meeting, New Orleans, LA, March 18 - 22, 2018.
Sayre, R. AND Chris Grulke. Universal LD50 predictions using deep learning. ICCVAM -Predictive Models for Acute Oral Systemic Toxicity, Bethesda, MD, April 11 - 12, 2018.
Richard, A., R. Lougee, Chris Grulke, K. Connors, K. Paul-Friedman, T. Shafer, J. Rathman, C. Yang, AND A. Williams. Use of ToxPrint chemotypes for exploring chemical feature enrichments across the ToxCast chemical-assay landscape. Society of Toxicology, San Antonio, TX, March 11 - 15, 2018.