Office of Research and Development Publications

Records 1 to 51 of 51

Isaacs, K., M. Goldsmith, P. Egeghy, K. Phillips, R. Brooks, T. Hong, AND J. Wambaugh. Characterization and Prediction of Chemical Functions and Weight Fractions in Consumer Products. Toxicology Reports. Elsevier B.V., Amsterdam, Netherlands, 3:723-732, (2016).
Egeghy, P., L. Sheldon, K. Isaacs, H. Ozkaynak, M. Goldsmith, J. Wambaugh, R. Judson, AND T. Buckley. Computational Exposure Science: An Emerging Discipline to Support 21st-Century Risk Assessment. ENVIRONMENTAL HEALTH PERSPECTIVES. National Institute of Environmental Health Sciences (NIEHS), Research Triangle Park, NC, 124(6):697–702, (2016).
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.
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).
Isaacs, K., W. Glen, P. Egeghy, D. Vallero, M. Goldsmith, AND H. Ozkaynak. Other Perspectives for Developing Exposure Estimates: “SHEDS-Lite: Rapid Scenario-Based ExposurePredictions for Chemicals with Near-Field and Dietary Pathways”. 24th Annual ISES Meeting, Cincinnati, OH, October 12 - 16, 2014.
Goldsmith, M. AND K. Isaacs. Developing a Passive Time-Activity Triage System In support of Consumer Ingredient Exposure Prioritization. 24th Annual ISES Conference 2014, Cincinnati, OH, October 12 - 16, 2014.
Lu, J., M. Goldsmith, C. Grulke, D. Chang, R. Brooks, J. Leonard, M. Phillips, E. Hypes, M. Fair, R. Tornero-Velez, J. Johnson, C. Dary, AND C. Tan. Developing a Physiologically-Based Pharmacokinetic Model Knowledgebase in Support of Provisional Model Construction. PLoS Computational Biology. Public Library of Science, San Francisco, CA, 12(2):e1004495, (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).
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).
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.
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.
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.
Goldsmith, M. AND K. Isaacs. Developing a Passive Time-Activity Triage System In support of Consumer Ingredient Exposure Prioritization. Presented at ISES 2014, Cincinnati, OH, October 12 - 16, 2014.
Goldsmith, M. AND D. Vallero. Life-Cycle inventory/impact Assessment in the context of Chemical Risk Assessment: An Informatics-driven Scoping Review. Presented at ISES 2014, Cincinnati, OH, October 12 - 16, 2014.
Goldsmith, M., P. Egeghy, AND K. Isaacs. . Cheminformatic exploration of the chemical landscape of consumer products. Presented at ISES 2014, Cincinnati, OH, October 12 - 16, 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.
Grulke, Chris, A. Clark, A. Williams, S. Ekins, C. Morris, AND Rocky Goldsmith. Mobile modeling in the molecular sciences. Chapter 1, McGraw-Hill Science & Technology. McGraw-Hill Companies, New York, NY, , 229-233, (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, 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).
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).
Nicolas, Chantel I., Michael R. Goldsmith, Bhavesh K. Ahir, Thomas B. Knudsen, J. Rabinowitz, R. Woodrow Setzer, K. Mansouri, AND John F. Wambaugh. High Throughput Modeling of Indoor Exposures to Chemicals (SOT). Presented at SOT, Phoenix, AZ, March 23 - 27, 2014. <a href="https://doi.org/10.23645/epacomptox.5197174">https://doi.org/10.23645/epacomptox.5197174</a>
GRULKE, C. M., M. GOLDSMITH, AND D. A. VALLERO. Toward a Blended Ontology: Applying Knowledge Systems to Compare Therapeutic and Toxicological Nanoscale Domains. JOURNAL OF BIOMEDICINE AND BIOTECHNOLOGY. Hindawi Publishing Corporation, New York, NY, 2012(308381):1-9, (2012).
Dionisio, K., A. Frame, Rocky Goldsmith, J. Wambaugh, A. Liddell, T. Cathey, D. Smith, J. Vail, AND R. Judson. Exploring exposure pathways with Chemical/Product Categorical (CPCat) Data. Presented at SOT Conference, Phoenix, AZ, March 23 - 27, 2014.
Vallero, D., P. Egeghy, T. Buckley, J. Wambaugh, K. Isaacs, Rocky Goldsmith, H. Ozkaynak, AND J. Mitchell. Mapping ExpoCast onto ToxCast. Presented at ISES, Basel, SWITZERLAND, August 19 - 23, 2013.
Ozkaynak, H., K. Isaacs, J. Xue, Rocky Goldsmith, P. Egeghy, D. Vallero, AND J. Wambaugh. High Throughput Exposure Prioritization of Chemicals Using a Screening-Level Probabilistic SHEDS-Lite Exposure Model. Presented at Annual Joint Conference ISEE/ISES/ISIAQ, basel, SWITZERLAND, August 19 - 23, 2013.
Isaacs, K., Chris Grulke, R. Brooks, M. Reich, R. Edwards, AND Rocky Goldsmith. Mining Internet search and social media for epidemiology. Chapter 222, McGraw-Hill Handbook of Science & Technology. McGraw-Hill Companies, New York, NY, , 222-227, (2014).
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).
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).
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.
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.
Tornero-Velez, R., J. Davis, E. Scollon, J. Starr, M. Goldsmith, R. Setzer, J. Xue, V. Zartarian, M. DeVito, AND M. Hughes. A pharmacokinetic model of cis- and trans-permethrin disposition in rats and humans with aggregate exposure application. TOXICOLOGICAL SCIENCES. Society of Toxicology, RESTON, VA, 130(1):33-47, (2012).
Grulke, Chris, K. Holm, Rocky Goldsmith, AND C. Tan. PROcEED: Probabilistic reverse dosimetry approaches for estimating exposure distributions. Bioinformation. Biomedical Informatics, , Singapore, 9(13):707-709, (2013).
Elkins, S., M. GOLDSMITH, A. Simon, Z. Zsoldos, O. Ravitz, AND A. J. Williams. LASSO-ing Potential Nuclear Receptor Agonists and Antagonists: A New Computational Method for Database Screening. Journal of Computational Medicine. Hindawi Publishing Corporation, New York, NY, 2013(513537):1-8, (2013).
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).
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).
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).
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).
ULRICH, E. M., C. N. MORRISON, M. GOLDSMITH, AND W. T. Foreman. Chiral Pesticides: Identification, Description and Environmental Implications. 2012Chapter 1, Springer, New York, NY, 217(February, 2012):1-74, (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.
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).
COHEN-HUBAL, E. A., A. M. RICHARD, L. AYLWARD, S. W. EDWARDS, J. GALLAGHER, M. GOLDSMITH, S. ISUKAPALLI, R. TORNERO-VELEZ, E. J. WEBER, AND R. J. KAVLOCK. Advancing Exposure Characterization for Chemical Evaluation and Risk Assessment. JOURNAL OF TOXICOLOGY AND ENVIRONMENTAL HEALTH - PART B: CRITICAL REVIEWS. Taylor & Francis, Inc., Philadelphia, PA, 13(2):299-313, (2010).
COHEN-HUBAL, E. A., A. M. RICHARD, L. Aylward, S. W. EDWARDS, J. GALLAGHER, M. GOLDSMITH, S. Isukapalli, R. TORNERO-VELEZ, E. J. WEBER, AND R. J. KAVLOCK. Advancing Exposure Characterization for Chemical Evaluation and Risk Assessment . JOURNAL OF TOXICOLOGY AND ENVIRONMENTAL HEALTH - PART B: CRITICAL REVIEWS. Taylor & Francis, Inc., Philadelphia, PA, 13(2-4):299-313, (2010).
RABINOWITZ, J. R., S. LITTLE, T. R. Transue, AND M. GOLDSMITH. The Toxicant-Target Paradigm for Toxicity Screening – Pharmacophore Based Constraints. Presented at Society of Toxicology Annual Meeting, Salt Lake City, UT, March 07 - 11, 2010.
RABINOWITZ, J. R., S. LITTLE, S. C. LAWS, AND M. GOLDSMITH. Molecular Modeling for Screening Environmental Chemicals for Estrogenicity: Use of the Toxicant-Target Approach . CHEMICAL RESEARCH IN TOXICOLOGY. American Chemical Society, Washington, DC, 22(9):1594-602, (2009).
RABINOWITZ, J. R., M. GOLDSMITH, AND S. LITTLE. Molecular Modeling to Predict and Understand Chemical Toxicity. Presented at Computational Toxicology Board of Scientific Counselors Review, RTP, NC, September 29 - 30, 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.
COLLETTE, T. W., Q. TENG, D. R. EKMAN, J. M. LAZORCHAK, D. L. LATTIER, M. GOLDSMITH, M. KOSTICH, AND J. D. PLEIL. Advanced Exposure Metrics For Chemical Risk Analysis: Systems Biology and 'Omic-based Biomarkers for Exposure Reconstruction. Presented at BOSC Computational Toxicology Research Program Review, Research Triangle Park, NC, September 29 - 30, 2009.
MAZUR, C. S., J. F. KENNEKE, M. GOLDSMITH, AND C. BROWN. Contrasting Influence of NADPH and a NADPH-Regenerating System on the Metabolism of Carbonyl-Containing Compounds in Hepatic Microsomes. DRUG METABOLISM AND DISPOSITION. American Society for Pharmacology and Experimental Therapeutics, Bethesda, MD, 37(9):1801-1805, (2009).
RABINOWITZ, J. R., S. LITTLE, AND M. GOLDSMITH. Computational Molecular Modeling Methods Applied to Screening for Toxicity. Presented at Society of Toxicology Annual Meeting, Baltimore, MD, March 15 - 19, 2009.