Science Inventory

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Fay, K., K. Markey, K. Mansouri, J. Prindiville, G. Patlewicz, A. Richard, R. Lougee, Mahmoud A. Shobair, M. Lewis, E. Saluck, AND D. Chang. Revisiting and updating chemical groupings with new approach methodologies (Presentation by Dan Chang). ICCVAM RAWG, Virtual, Virtual, May 29, 2020. https://doi.org/10.23645/epacomptox.12564074

Otter, R., M. Embry, M. Barron, A. Beasley, S. Belanger, M. Bonnell, J. Brill, D. Chang, K. Connors, D. DeZwart, K. Fay, M. Halder, S. Hughes, A. Kienzler, T. Norberg-King, H. Sanderson, N. Vallotton, AND P. Wilson. EnviroTox database: Overview and applications. SETAC North America, Toronto, ON, CANADA, November 03 - 07, 2019.

Leonard, J., C. Stevens, K. Mansouri, D. Chang, H. Pudukodu, S. Smith, AND C. Tan. A Workflow for Identifying Metabolically Active Chemicals to Complement in vitro Toxicity Screening. Computational Toxicology. Elsevier B.V., Amsterdam, Netherlands, 6:71-83, (2018).

Embry, M., M. Barron, A. Beasley, S. Belanger, J. Brill, D. Chang, D. De Zwart, M. Halder, S. Hughes, A. Kienzler, T. Norberg-King, R. Otter, H. Sanderson, AND P. Wilson. Ecological Threshold for Toxicological Concern (eco-TTC) - applications for environmental risk assessment in various contexts. SETAC North America, Sacramento, CA, November 04 - 08, 2018.

Phillips, K., K. Isaacs, D. Chang, AND K. Markey. Evaluation of High-throughput Chemical Functional Use Models (ISES Annual Meeting). ISES-ISEE 2018 Joint Annual Meeting, Ottawa, Ontario, CANADA, August 26 - 30, 2018.

Leonard, J., D. Chang, H. El-Masri, S. Edwards, C. Stevens, K. Mansouri, P. Egeghy, AND C. Tan. A tiered approach for integrating exposure and dosimetry with in vitro dose-response data in the modern risk assessment paradigm. 254th ACS National Meeting & Exposition, Washington, DC, August 20 - 24, 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.

Leonard, J., C. Stevens, K. Mansouri, D. Chang, AND C. Tan. Identifying Metabolically Active Chemicals Using a Consensus Quantitative Structure Activity Model for Estrogen Receptor Binding. SOT Annual Meeting, Baltimore, MD, March 12 - 16, 2017.

Leonard, J., C. Stevens, K. Mansouri, D. Chang, AND C. Tan. Identifying Metabolically Active Chemicals Using a Consensus Quantitative Structure Activity Relationship Model for Estrogen Receptor Binding. Opentox USA 2017, Durham, NC, July 12 - 13, 2017.

Williams, A., Chris Grulke, D. Chang, K. Markey, AND J. Edwards. The EPA CompTox Dashboard and Underpinning Software Architecture – a platform for data integration for environmental chemistry data (ACS Fall Meeting 7 of 12). Presented at ACS Fall Meeting, Washington, DC, August 20 - 24, 2017.

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.

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.

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.

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. Edition 1, Chapter 1, McGraw-Hill Handbook of Science & Technology. McGraw-Hill Companies, New York, NY, , 1-9, (2014).