Science Inventory

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Brennan, A., D. Chang, J. Cowden, S. Davidson-Fritz, J. Dean, M. Devito, J. Ford, L. Everett, A. Harrill, S. Hester, M. Hughes, J. Lambert, L. Lizarraga, R. Mezencev, D. Macmillan, G. Patlewicz, Kristina Chialton, R. Thomas, K. Vitense, L. Wehmas, A. Renyer, S. Auerbach, AND W. Casey. EPA Transcriptomic Assessment Product (ETAP) for Perfluoro-3-Methoxypropanoic Acid. U.S. Environmental Protection Agency, Washington, DC, EPA/600/X-24/066, 2024. https://doi.org/10.23645/epacomptox.25352962

Chang, D., J. Cowden, S. Davidson-Fritz, J. Dean, M. Devito, L. Everett, A. Harrill, S. Hester, M. Hughes, J. Lambert, L. Lizarraga, R. Mezencev, G. Patlewicz, R. Thomas, L. Wehmas, K. Vitense, S. Auerbach, W. Casey, R. Sams, S. Hunter, J. Bucher, T. Buckley, P. Egeghy, K. Paul-Friedman, J. Harrill, K. Isaacs, R. Judson, J. Kaiser, S. Masten, F. Parham, D. Petersen, A. Phillips, J. Sobus, Dan Villeneuve, P. White, A. Williams, G. Woodall, AND J. Zhao. Scientific Studies Supporting Development of Transcriptomic Points of Departure for EPA Transcriptomic Assessment Products (ETAPs). U.S. Environmental Protection Agency, Washington, DC, EPA/600/X-23/084, 2024. https://doi.org/10.23645/epacomptox.25365550

Brennan, A., D. Chang, J. Cowden, S. Davidson-Fritz, J. Dean, M. Devito, J. Ford, L. Everett, A. Harrill, S. Hester, M. Hughes, J. Lambert, L. Lizarraga, R. Mezencev, D. Macmillan, G. Patlewicz, K. Thayer, R. Thomas, K. Vitense, L. Wehmas, A. Renyer, S. Auerbach, W. Casey, R. Sams, S. Hunter, W. Cascio, K. Holt, S. Jones, R. Subramaniam, G. Rice, J. Bucher, T. Buckley, P. Egeghy, K. Paul-Friedman, J. Harrill, K. Isaacs, R. Judson, J. Kaiser, S. Masten, F. Parham, D. Petersen, A. Phillips, J. Sobus, Dan Villeneuve, P. White, A. Williams, G. Woodall, AND J. Zhao. Standard Methods for Development of EPA Transcriptomic Assessment Products (ETAPs). U.S. Environmental Protection Agency, Washington, DC, EPA/600/X-23/083, 2024. https://doi.org/10.23645/epacomptox.25365496

Nyffeler, J., C. Willis, F. Harris, M. Foster, B. Chambers, M. Culbreth, R. Brockway, S. Davidson-Fritz, D. Dawson, I. Shah, K. Paul-Friedman, D. Chang, L. Everett, J. Wambaugh, G. Patlewicz, AND J. Harrill. Application of Cell Painting for chemical hazard evaluation in support of screening-level chemical assessments. TOXICOLOGY AND APPLIED PHARMACOLOGY. Academic Press Incorporated, Orlando, FL, 468:116513, (2023). https://doi.org/10.1016/j.taap.2023.116513

Adams, M., H. Hilde, D. Chang, A. Richard, A. Williams, I. Shah, AND G. Patlewicz. Development of a CSRML version of the Analog identification Methodology (AIM) fragments and their evaluation within the Generalised Read-Across (GenRA) approach. Computational Toxicology. Elsevier B.V., Amsterdam, Netherlands, 25:100256, (2023). https://doi.org/10.1016/j.comtox.2022.100256

Lowe, C., N. Charest, C. Ramsland, D. Chang, T. Martin, AND A. Williams. Transparency in Modeling through Careful Application of OECD’s QSAR/QSPR Principles via a Curated Water Solubility Data Set. CHEMICAL RESEARCH IN TOXICOLOGY. American Chemical Society, Washington, DC, 36(3):465-478, (2023). https://doi.org/10.1021/acs.chemrestox.2c00379

Charest, N., C. Lowe, D. Chang, C. Ramsland, T. Martin, AND A. Williams. Transparency in QSXR Modeling: Modernizing to a Machine Learning Paradigm. QSAR, Copenhagen, DENMARK, June 05 - 09, 2023. https://doi.org/10.23645/epacomptox.23279843.v1

Charest, N., C. Lowe, D. Chang, C. Ramsland, T. Martin, AND A. Williams. Transparency in QSXR Modeling: Modernizing to a Machine Learning Paradigm (ACS 2023). ACS, San Francisco, CA, August 13 - 17, 2023. https://doi.org/10.23645/epacomptox.23823828

Chang, D., K. Fay, K. Mansouri, K. Markey, J. Prindiville, G. Patlewicz, M. Lewis, M. Shobair, E. Saluck, AND A. Richard. Use of Supervised Learning Approaches with Hierarchical Fragment-based Representations (ToxPrints) to Characterize Mode-of-Action in Aquatic Fish Toxicity. SERMACS, Durham, NC, October 25 - 28, 2023. https://doi.org/10.23645/epacomptox.24790593

Harten, P., T. Martin, D. Chang, AND D. Young. Finding Potential Replacements for TRI Solvents Using the Environmental Impact of the Average Solvent. JOURNAL OF SOLUTION CHEMISTRY. Plenum Press, New York, NY, 51:838-849, (2022). https://doi.org/10.1007/s10953-022-01174-y

Chang, D. Revisiting and updating chemical categorization with new approach methodologies: lessons learned. APCRA, Durham, NC, November 11, 2022. https://doi.org/10.23645/epacomptox.21538311

Goldsmith, M., D. Chang, AND C. Williams. Atomic contribution mapping and exploration with reverse fingerprinting (ACME-RF): Assigning toxicological endpoints to chemical structure at atomic resolution (SOT 2021). Society of Toxicology 2021 Annual meeting, Virtual, NC, March 12 - 26, 2021. https://doi.org/10.23645/epacomptox.14474031

Shobair, Mahmoud A., Chris Grulke, D. Chang, R. Lougee, K. Paul-Friedman, AND A. Richard. Combining in silico structure-based methods and enrichment analysis to increase confidence in HTS results: Application to Tox21 TRHR assay. Society of Toxicology 2021 Virtual Annual Meeting, RTP, NC, March 12 - 26, 2021. https://doi.org/10.23645/epacomptox.14474052

Yun, Y., R. Tornero-Velez, Tom Purucker, D. Chang, AND A. Edginton. Evaluation of Quantitative Structure Property Relationship algorithms for predicting plasma protein binding in humans. Computational Toxicology. Elsevier B.V., Amsterdam, Netherlands, 17:100142, (2021). https://doi.org/10.1016/j.comtox.2020.100142

Nyffeler, J., C. Willis, M. Culbreth, Richard E. Brockway, L. Everett, G. Patlewicz, I. Shah, D. Chang, J. Wambaugh, K. Paul-Friedman, AND J. Harrill. High-throughput phenotypic profiling within the NAMs-based, tiered hazard evaluation strategy at the U.S. Environmental Protection Agency (EuroTox 2021). EUROTOX congress 2021, virtual, NC, September 26 - October 01, 2021. https://doi.org/10.23645/epacomptox.16838164

Nyffeler, J., C. Willis, G. Patlewicz, D. Chang, I. Shah, AND J. Harrill. Identifying putative mode-of-actions for environmental chemicals using high-throughput phenotypic profiling (WC11). 11th World Conference on Alternatives and Animal Use in the Life Science (WC11), Virtual, NC, NETHERLANDS, August 23 - September 02, 2021. https://doi.org/10.23645/epacomptox.16837921

Shobair, Mahmoud A., D. Chang, R. Lougee, K. Paul-Friedman, Chris Grulke, J. Zhao, R. Huang, M. Xia, AND A. Richard. In silico and cheminformatics enrichment analysis to increase confidence in in vitro high-throughput screening (HTS) results: Application to Tox21 thyrotropin-releasing hormone receptor (TRHR) assay. QSAR 2021 International Workshop on QSAR in Environmental and Health Sciences, Virtual, NC, June 07 - 10, 2021. https://doi.org/10.23645/epacomptox.15101949

Fay, K., K. Mansouri, J. Prindiville, G. Patlewicz, M. Lewis, A. Richard, M. Shobair, E. Saluck, AND D. Chang. Revisiting and Updating Chemical Categorizations using chemical fingerprint and High-Throughput Screening Data (QSAR 2021). QSAR 2021 International Workshop on QSAR in Environmental and Health Sciences, Virtual, NC, June 07 - 10, 2021. https://doi.org/10.23645/epacomptox.15899004

Goldsmith, M., J. Kroemer, S. Pokhrel, D. Chang, G. Fortin, AND A. Deschenes. Toward Playbooks, Workflows and Federated Models for Agrochemical Discovery and De-risking. Chapter 9, Rauzan & Lorsbach (ed.), Crop Protection Products for Sustainable Agriculture. ACS Publications, Washington, DC, , 181-200, (2021).

Nyffeler, J., C. Willis, M. Culbreth, Richard E. Brockway, L. Everett, G. Patlewicz, I. Shah, D. Chang, J. Wambaugh, K. Paul-Friedman, AND J. Harrill. Applications of image-based high-throughput phenotypic profiling (HTPP) for hazard evaluation of environmental chemicals. Intelligent Systems for Molecular Biology, NA, NC, July 13 - 16, 2020. https://doi.org/10.23645/epacomptox.12765221

Nyffeler, J., C. Willis, M. Culbreth, Richard E. Brockway, L. Everett, G. Patlewicz, I. Shah, D. Chang, J. Wambaugh, K. Paul-Friedman, AND J. Harrill. Image-based high-throughput phenotypic profiling for hazard evaluation of environmental chemicals: Two applications. OpenTox 2020 Virtual Conference, Durham, NC, September 21 - 25, 2020. https://doi.org/10.23645/epacomptox.13269335

Shobair, Mahmoud A., Chris Grulke, D. Chang, R. Lougee, K. Paul-Friedman, AND A. Richard. Integrating in silico and in vitro data for New Approach Methods evaluation: Application to Tox21 TRHR assay results. The American Society for Cellular and Computational Toxicology (ASCCT) 2020 annual meeting, DURHAM, North Carolina, October 21 - 22, 2020. https://doi.org/10.23645/epacomptox.13148168

Shobair, Mahmoud A., D. Chang, Chris Grulke, K. Paul-Friedman, AND A. Richard. Integrating in silico and in vitro data to identify putative thyrotropin-releasing hormone receptor ligands. ACS Fall meeting, acs.org, San Francisco, California, August 16 - 20, 2020. https://doi.org/10.23645/epacomptox.12822230

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 Categorizations using chemical fingerprint and High-Throughput Screening Data - ACS 2020. ACS, San Francisco, California, August 16 - 20, 2020. https://doi.org/10.23645/epacomptox.12830594

Chang, D., K. Fay, K. Markey, M. Phillips, G. Patlewicz, A. Richard, L. Scarano, Mahmoud A. Shobair, R. Lougee, E. Saluck, J. Prindiville, C. Inglis, M. Lewis, AND K. Mansouri. Revisiting and updating chemical groupings with new approach methodologies. APCRA-5 Virtual Teleconference (Accelerating the Pace of Chemical Risk Assessment), Virtual, Virtual, August 26 - 27, 2020. https://doi.org/10.23645/epacomptox.13268963