Office of Research and Development Publications

Records 1 to 32 of 32

2017
Grulke, Chris, Rocky Goldsmith, R. Brooks, D. Chang, C. Tan, R. Tornero-Velez, AND K. Holm. Enabling PBPK model development through the application of freely available techniques for the creation of a chemically-annotatedcollection of literature. Presented at American Chemical Society, San Francisco, CA, August 10 - 14, 2014.
2016
Phillips, M., J. Leonard, Chris Grulke, D. Chang, S. Edwards, R. Brooks, M. Goldsmith, H. El-Masri, AND C. Tan. A Workflow to Investigate Exposure and Pharmacokinetic Influences on High-Throughput in Vitro Chemical Screening Based on Adverse Outcome Pathways. ENVIRONMENTAL HEALTH PERSPECTIVES. National Institute of Environmental Health Sciences (NIEHS), Research Triangle Park, NC, 124(1):53-60, (2016).
Lu, J., M. Goldsmith, Chris Grulke, D. Chang, J. Leonard, E. Hypes, AND C. Tan. A comprehensive physiologically based pharmacokinetic knowledgebase and web-based interface for rapid model ranking and querying. Society of Toxicology 55th Annual Meeting and ToxExpo, New Orleans, LA, March 13 - 17, 2016.
Tan, C., J. Leonard, S. Scholle, M. Winter, P. Key, J. Lu, AND D. Chang. Evaluating the Value of Augmenting In Vitro Hazard Assessment with Exposure and Pharmacokinetics Considerations for Chemical Prioritization. Society of Toxicology Conf, New Orleans, LA, March 13 - 17, 2016.
2015
Leonard, J., R. Goldsmith, D. Chang, AND Yumei Tan. A workflow to investigate exposure and pharmacokinetic influences on high-throughput in vitro chemical screening based on adverse outcome pathways, OpenTox USA 2015 Poster. OpenTox USA 2015, Baltimore, MD, February 10 - 12, 2015.
Goldsmith, M., D. Chang, A. Deschenes, K. Phillips, K. Isaacs, AND J. Wambaugh. Quantitative structure-Functional Ingredient Relationships (qFIRs): Development of a data-driven workflow for alternatives ingredient assessments for in silico molecular repurposing. American Chemical Society National Meeting, Boston, MA, August 16 - 20, 2015.
2014
Tan, C., D. Chang, M. Phillips, S. Edwards, Chris Grulke, Rocky Goldsmith, J. Sobus, R. Conolly, R. Tornero-Velez, AND C. Dary. Biomarkers in Computational Toxicology. Chapter 63, Biomarkers in Toxicology. Elsevier, Shannon, Ireland, , 1039-1055, (2014).
Goldsmith, Rocky, Chris Grulke, R. Brooks, T. Transue, C. Tan, A. Frame, P. Egeghy, R. Edwards, D. Chang, R. Tornero-Velez, K. Isaacs, A. Wang, J. Johnson, K. Holm, M. Reich, J. Mitchell, D. Vallero, L. Phillips, M. Phillips, J. Wambaugh, R. Judson, T. Buckley, AND C. Dary. Development of a Consumer Product Ingredient Database for Chemical ExposureScreening and Prioritization. FOOD AND CHEMICAL TOXICOLOGY. Elsevier Science Ltd, New York, NY, 65:269-279, (2014).
Goldsmith, M., C. Grulke, D. Chang, T. Transue, S. Little, J. Rabinowitz, AND R. Tornero-Velez. DockScreen: A database of in silico biomolecular interactions to support computational toxicology. Dataset Papers in Science. Hindawi Publishing Corporation, New York, NY, 2014:1-5, (2014).
Yin, Y., D. Chang, C. Grulke, C. Tan, M. Goldsmith, AND R. Tornero-Velez. Essential Set of Molecular Descriptors for ADME Prediction in Drug and Environmental Chemical Space. Research. Synatom Research, Lambertville, NJ, (1):996, (2014).
Goldsmith, M., D. Vallero, P. Egeghy, D. Chang, Chris Grulke, C. Tan, AND J. Wambaugh. Ex Priori: Exposure-based Prioritization across Chemical Space. Presented at ISES 2014, Cincinnati, OH, October 12 - 16, 2014.
Holm, K., Rocky Goldsmith, D. Chang, Chris Grulke, M. Phillips, C. Tan, AND R. Tornero-Velez. Identification and Prioritization of Chemical Mixtures from Environmental Residue Data. Presented at SOT Annual Meeting, Phoenix, AZ, March 23 - 27, 2014.
Chang, D., Chris Grulke, Y. Yin, R. Tornero-Velez, M. Pasquinelli, AND Rocky Goldsmith. Too many chemicals, too little time: Rapid in silico methods to characterize and predict ADME properties for chemical toxicity and exposure potential. Presented at 18th Annual Green Chemistry & Engineering Conference, Bethesda, MD, June 17 - 19, 2014.
2013
Tan, C., M. Phillips, J. Sobus, D. Chang, AND Rocky Goldsmith. Biomarkers - Key to Exposure Reconstruction. Chapter 14, Yearbook of Science & Technology 2014. McGraw-Hill Companies, New York, NY, , 38-41, (2013).
Kenneke, J., S. Marchitti, S. Rawat, D. Chang, Chris Grulke, Chris Mazur, AND Rocky Goldsmith. Chiral Pesticide Pharmacokinetics: A Range of Values. Presented at Society of Toxicology Meeting, San Antonio, TX, March 10 - 14, 2013.
Chang, D., Rocky Goldsmith, A. Fraile Rodriguez, Chris Grulke, P. Egeghy, AND J. Mitchell-Blackwood. Data-Mining and Informatics Approaches for Environmental Contaminants. 1Chapter 1, McGraw-Hill Handbook of Science & Technology. McGraw-Hill Companies, New York, NY, , 1-9, (2014).
Kenneke, J., S. Marchitti, S. Rawat, Chris Mazur, Q. Cheng, M. Goldsmith, D. Chang, AND C. Grulke. Impact of In Vitro System, Chemical Mistures, and Stereochemistry on the Intrinsic Clearance of 1,2,4-Triazole Fungicides in Human and Rat. Presented at The 19th International Symposium on Microsomes and Drug Oxidations and 12th European ISSX Meeting, Noordwijk aan Zee, NETHERLANDS, June 17 - 21, 2012.
Goldsmith, Rocky, Chris Grulke, D. Chang, C. Tan, R. Brooks, C. Dary, AND D. Vallero. Personal Chemical Exposure informatics. Chapter 1, McGraw-Hill Handbook of Science & Technology. McGraw-Hill Companies, New York, NY, , 1-9, (2014).
Goldsmith, Rocky, C. Tan, D. Chang, Chris Grulke, R. Tornero-Velez, D. Vallero, C. Dary, J. Johnson, P. Egeghy, J. Mitchell-Blackwood, K. Holm, M. Reich, R. Edwards, AND L. Phillips. Summary Report for Personal Chemical Exposure Informatics: Visualization and Exploratory Research in Simulations and Systems (PerCEIVERS). U.S. Environmental Protection Agency, Washington, DC, EPA/600/R/13/041 (NTIS PB2013-108926), 2013.
2012
TAN, YU-MEI, C. C. DARY, D. CHANG, E. M. ULRICH, J. M. VAN EMON, J. XUE, J. D. PLEIL, J. F. KENNEKE, J. SOBUS, L. S. SHELDON, M. K. MORGAN, M. GOLDSMITH, R. TORNERO-VELEZ, R. HIGHSMITH, R. C. FORTMANN, T. W. COLLETTE, AND V. G. ZARTARIAN. Biomonitoring - An Exposure Science Tool for Exposure and Risk Assessment. U.S. Environmental Protection Agency, Washington, DC, EPA/600/R-12/039 (NTIS PB2012-112321), 2012.
TAN, YU-MEI, R. CONOLLY, D. CHANG, R. TORNERO-VELEZ, M. GOLDSMITH, S. PETERSON, AND C. C. DARY. Computational Toxicology: Application in Environmental Chemicals. Chapter 2, Brad Reisfeld and Arthur N. Mayeno (ed.), Computational Toxicology: Volume 1, Methods in Molecular Biology. Springer Science + Business Media, New York, NY, 929:1-11, (2012).
Chang, D., Rocky Goldsmith, R. Tornero-Velez, C. Tan, Chris Grulke, E. Ulrich, A. Lindstrom, M. Pasquinelli, J. Rabinowitz, AND C. Dary. In Silico Strategies for Modeling Stereoselective Metabolism of Pyrethroids. Chapter 16, Parameters for Pesticide QSAR and PBPK Models for Human Risk Assessment. American Chemical Society, Washington, DC, 1099:245-269, (2012).
GOLDSMITH, M., S. PETERSON, D. CHANG, T. R. Transue, R. TORNERO-VELEZ, YU-MEI TAN, AND C. C. DARY. Informing Mechanistic Toxicology with Computational Molecular Models. Chapter 7, B Reisfeld, A Mayeno (ed.), Computational Toxicology - Volume I, Methods in Molecular Biology. Springer Science + Business Media, New York, NY, 929(2012):139-165, (2012).
Goldsmith, Rocky, J. Johnson, D. Chang, R. Tornero-Velez, J. Knaak, AND C. Dary. Parameters for Pesticide QSAR and PBPK/PD Models to inform Human Risk Assessments. Chapter 1, James B. Knaak, Charles Timchalk, Rogelio Tornero-Velez (ed.), Parameters for Pesticide QSAR and PBPK/PD Models for Human Risk Assessment. American Chemical Society, Washington, DC, 1099:1-15, (2012).
KNAAK, J. B., C. C. DARY, X. Zhang, R. W. Gerlach, R. TORNERO-VELEZ, D. CHANG, M. GOLDSMITH, AND J. N. BLANCATO. Parameters for Pyrethroid Insecticide QSAR and PBPK/PD Models for Human Risk Assessment . Chapter INT, Springer, New York, NY, 219:1-114, (2012).
TAN, YU-MEI, J. SOBUS, D. CHANG, M. GOLDSMITH, R. TORNERO-VELEZ, J. D. PLEIL, AND C. C. DARY. Reconstructing Human Exposures Using Biomarkers and other "Clues". JOURNAL OF TOXICOLOGY AND ENVIRONMENTAL HEALTH - PART B: CRITICAL REVIEWS. Taylor & Francis, Inc., Philadelphia, PA, 15(1):15-38, (2012).
2010
GOLDSMITH, M., T. R. Transue, D. CHANG, R. TORNERO-VELEZ, AND C. C. DARY. PAVA: Physiological and Anatomical Visual Analytics for Mapping of Tissue-Specific Concentration and Time-Course Data. JOURNAL OF PHARMACOKINETICS AND PHARMACODYNAMICS. Springer, New York, NY, 37(3):277-287, (2010).
2009
TAN, C., E. J. WEBER, J. F. KENNEKE, M. K. MORGAN, D. CHANG, M. GOLDSMITH, R. TORNERO-VELEZ, AND C. C. DARY. Computational Approaches and Tools for Exposure Prioritization and Biomonitoring Data Interpretation. Presented at Computational Toxicology Board of Scientific Counselors Review, RTP, NC, September 29 - 30, 2009.
2006
CHANG, D., T. L. WHITEHEAD, M. S. OKINO, C. S. MAZUR, J. F. KENNEKE, R. TORNERO-VELEZ, J. C. JOHNSON, AND C. C. DARY. AN IN SILICO INVESTIGATION OF THE ENANTIOSELECTIVE METABOLISM RATES OF TRIAZOLE FUGICIDES. Presented at 14th North American International Society for the Study of Xenobiotics Meeting, Rio Grande, PUERTO RICO, October 22 - 26, 2006.
CHANG, D., M. S. OKINO, FRED W. POWER, R. TORNERO-VELEZ, J. F. KENNEKE, CHRIS S. MAZUR, C. C. DARY, AND TIM W. COLLETTE. ESTIMATION OF CHEMICAL SPECIFIC PARAMETERS WITHIN PHYSIOLOGICALLY BASED PHARMACOKINETIC/PHARMACODYNAMIC MODELS. Presented at EPA Science Forum 2006, Washington, DC, May 16 - 18, 2006.
CHANG, D., P. P. EGEGHY, J. B. KNAAK, R. TORNERO-VELEZ, M. S. OKINO, F. W. POWER, M. DELLARCO, C. S. MAZUR, J. F. KENNEKE, AND C. C. DARY. INFLUENCE OF MATRIX FORMULATION ON DERMAL PERCUTANEOUS ABSORPTION OF TRIAZOLE FUNGICIDES USING QSAR AND PBPK / PD MODELS. Presented at ISEA/ISEE 2006 , Paris, FRANCE, September 02 - 06, 2006.
2005
KNAAK, J. B., D. CHANG, C. C. DARY, R. TORNERO-VELEZ, M. S. OKINO, AND FRED W. POWER. ESTIMATION OF ADIPOSE TISSUE; BLOOD PARTITION COEFFICIENTS OF CARBAMATES AND ORGANOPHOSPHORUS PESTICIDES USING RELATIVE LIPID CONTENT AND LOGP AS THE MECHANISTIC DETERMINANTS. Presented at American Chemical Society Meeting and Exposition, Washington, DC, August 27 - September 01, 2005.