Science Inventory

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Mansouri, K., J. Moreira-Filho, C. Lowe, N. Charest, T. Martin, V. Tkachenko, R. Judson, M. Conway, N. Kleinstreuer, AND A. Williams. Free and open-source QSAR-ready workflow for automated standardization of chemical structures in support of QSAR modeling. Journal of Cheminformatics. Springer, New York, NY, 16(1):19, (2024). https://doi.org/10.1186/s13321-024-00814-3

Mansouri, K., T. Martin, X. Chang, D. Allen, A. Williams, AND N. Kleinstreuer. OPERA models supporting regulatory needs (SOT 2023). SOT, Nashville, TN, March 19 - 23, 2022. https://doi.org/10.23645/epacomptox.22551853

Mansouri, K., T. Martin, X. Chang, D. Allen, A. Williams, AND N. Kleinstreuer. OPERA: Open-Source QSAR Models for Regulatory Support. SETAC, Louisville, KY, November 12 - 16, 2023. https://doi.org/10.23645/epacomptox.24526729

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

Nicolas, C., M. Linakis, M. Minto, K. Mansouri, R. Clewell, M. Yoon, J. Wambaugh, G. Patlewicz, P. McMullen, M. Andersen, AND H. Clewell. Estimating provisional margins of exposure for data-poor chemicals using high-throughput computational methods. Frontiers in Pharmacology. Frontiers, Lausanne, Switzerland, 13:980747, (2022). https://doi.org/10.3389/fphar.2022.980747

Karmaus, A., K. Mansouri, K. To, B. Blake, J. Fitzpatrick, J. Strickland, G. Patlewicz, D. Allen, W. Casey, AND N. Kleinstreuer. Evaluation of Variability Across Rat Acute Oral Systemic Toxicity Studies. TOXICOLOGICAL SCIENCES. Society of Toxicology, RESTON, VA, 188(1):34-47, (2022). https://doi.org/10.1093/toxsci/kfac042

Mansouri, K., T. Martin, X. Chang, D. Allen, A. Williams, AND N. Kleinstreuer. OPERA models supporting regulatory needs. ASCCT, RTP, NC, October 19 - 21, 2022. https://doi.org/10.23645/epacomptox.22018232

Chang, X., J. Palmer, A. Lumen, U. Lee, P. Ceger, K. Mansouri, C. Sprankle, E. Donley, S. Bell, T. Knudsen, J. Wambaugh, B. Cook, D. Allen, AND N. Kleinstreuer. Quantitative in vitro to in vivo extrapolation for developmental toxicity potency of valproic acid analogues. Birth Defects Research. John Wiley & Sons, Inc., Hoboken, NJ, 114(16):1037-1055, (2022). https://doi.org/10.1002/bdr2.2019

Williams, A., T. Martin, Chris Grulke, AND K. Mansouri. Accessing bulk predicted QSAR data via batch search functionality in the CompTox Chemicals Dashboard (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.15074892

Mansouri, K., A. Karmaus, J. Fitzpatrick, G. Patlewicz, P. Pradeep, D. Alberga, N. Alepee, T. Allen, D. Allen, V. Alves, C. Andrade, T. Auernhammer, D. Ballabio, S. Bell, E. Benfenati, S. Bhattacharya, J. Bastos, S. Boyd, J. Brown, S. Capuzzi, Y. Chushak, H. Ciallella, A. Clark, V. Consonni, P. Daga, S. Ekins, S. Farag, M. Fedorov, D. Fourches, D. Gadaleta, F. Gao, J. Gearhart, G. Goh, J. Goodman, F. Grisoni, C. Grulke, T. Hartung, M. Hirn, P. Karpov, A. Korotcov, G. Lavado, M. Lawless, X. Li, T. Luechtefeld, F. Lunghini, G. Mangiatordi, G. Marcou, D. Marsh, T. Martin, A. Mauri, E. Muratov, G. Myatt, D. Nguyen, O. Nicolotti, AND R. Note. CATMoS: Collaborative Acute Toxicity Modeling Suite. ENVIRONMENTAL HEALTH PERSPECTIVES. National Institute of Environmental Health Sciences (NIEHS), Research Triangle Park, NC, 129(4):47013, (2021). https://doi.org/10.1289/EHP8495

Wambaugh, J., N. Sipes, J. Arnot, T. Brown, D. Dawson, S. Davidson, M. Devito, J. DiBella, S. Ferguson, M. Goldsmith, Chris Grulke, R. Judson, M. Lawless, K. Mansouri, G. Patlewicz, E. Papa, P. Pradeep, A. Sangion, R. Sayre, R. Tornero-Velez, AND B. Wetmore. Collaborative Evaluation of In Silico Predictions for High Throughput Toxicokinetics. QSAR 2021 International Workshop on QSAR in Environmental and Health Sciences, Virtual, NC, June 07 - 10, 2021. https://doi.org/10.23645/epacomptox.15077418

Wambaugh, J., N. Sipes, J. Arnot, T. Brown, D. Dawson, S. Davidson, M. Devito, J. DiBella, S. Ferguson, R. Goldsmith, Chris Grulke, R. Judson, M. Lawless, K. Mansouri, G. Patlewicz, E. Papa, P. Pradeep, A. Sangion, R. Sayre, R. Tornero-Velez, AND B. Wetmore. Collaborative Evaluation of In Silico Predictions for High Throughput Toxicokinetics (QSAR). Workshop on (Quantitative) Structure-Activity Relationships in Environmental and Health Sciences, Virtual, NC, June 07 - 09, 2021. https://doi.org/10.23645/epacomptox.16554114

Mansouri, K., A. Karmaus, J. Fitzpatrick, G. Patlewicz, P. Pradeep, D. Allen, W. Casey, AND N. Kleinstreuer. Collaborative Modeling Project for Predicting Acute Oral Toxicity (CATMoS) (QSAR 2021). Presentation to the QSAR 2021 International Workshop on QSAR in Environmental and Health Sciences June 2021, Virtual, NC, June 07 - 10, 2021. https://doi.org/10.23645/epacomptox.16455585

Langlois-Miller, C., H. Al-Ghoul, L. Groff, K. Isaacs, E. Ulrich, S. Laughlin, H. Liberatore, C. Lowe, J. McCord, J. Minucci, K. Phillips, Tom Purucker, R. Singh, M. Strynar, A. Marcotte, C. Grulke, J. Grossman, A. McEachran, AND K. Mansouri. OLEM Perspective on Non-Targeted Analysis for Emergency Response. Board of Scientific Counselors (BOSC) Webinar, Virtual, N/A, November 04, 2021. https://doi.org/10.23645/epacomptox.16918747

Mansouri, K., X. Chang, D. Allen, R. Judson, A. Williams, AND N. Kleinstreuer. OPERA models for ADME properties and toxicity endpoints. Society of Toxicology 2021 Virtual Annual Meeting, Virtual, NC, March 12 - 26, 2021. https://doi.org/10.23645/epacomptox.14470728

Mansouri, K., Chris Grulke, R. Judson, A. Richard, A. Williams, AND N. Kleinstreuer. Open-source QSAR-ready chemical structure standardization workflow. QSAR 2021 International Workshop on QSAR in Environmental and Health Sciences, Virtual, NC, June 07 - 10, 2021. https://doi.org/10.23645/epacomptox.15070041

Mansouri, K., X. Chang, D. Allen, R. Judson, A. Williams, W. Casey, AND N. Kleinstreuer. Opera, An Open-Source And Open-Data Suite Of QSAR Models. 11th World Congress on Alternatives and Animal Use in the Life Sciences, Maastricht (Virtual), N/A, NETHERLANDS, August 25 - 26, 2021. https://doi.org/10.23645/epacomptox.16556280

Karmaus, A., K. Mansouri, J. Fitzpatrick, J. Strickland, G. Patlewicz, D. Allen, W. Casey, AND N. Kleinstreuer. Rat Acute Systemic Toxicity Testing: Evaluating Reproducibility and Inherent Variability. 11th World Congress on Alternatives and Animal Use in the Life Sciences, Virtual, NC, August 23 - September 02, 2021. https://doi.org/10.23645/epacomptox.17738114

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

Mansouri, K., N. Kleinstreuer, R. Judson, A. Williams, I. Shah, AND A. Richard. CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity. ENVIRONMENTAL HEALTH PERSPECTIVES. National Institute of Environmental Health Sciences (NIEHS), Research Triangle Park, NC, 128(2):27002, (2020). https://doi.org/10.1289/EHP5580

Mansouri, K., A. Karmaus, J. Fitzpatrick, G. Patlewicz, P. Pradeep, D. Allen, W. Casey, AND N. Kleinstreuer. Collaborative Modeling Project for Predicting Acute Oral Toxicity. Society of Toxicology 59th Annual Meeting, Anaheim, CA, March 15 - 19, 2020. https://doi.org/10.23645/epacomptox.12055824

Borrel, A., R. Huang, S. Sakamuru, M. Xia, A. Simeonov, K. Mansouri, K. Houck, R. Judson, AND N. Kleinstreuer. High-Throughput Screening to Predict Chemical-Assay Interference. Scientific Reports. Nature Publishing Group, London, Uk, 10:3986, (2020). https://doi.org/10.1038/s41598-020-60747-3

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

Judson, R., K. Houck, K. Friedman, J. Brown, P. Browne, P. Johnston, D. Close, K. Mansouri, AND N. Kleinstreuer. Selecting a Minimal set of Androgen Receptor Assays for Screening Chemicals. REGULATORY TOXICOLOGY AND PHARMACOLOGY. Elsevier Science Ltd, New York, NY, 117(November 2020):104764, (2020). https://doi.org/10.1016/j.yrtph.2020.104764

Williams, A., C. Grulke, K. Mansouri, T. Martin, I. Shah, AND G. Patlewicz. US-EPA CompTox Chemicals Dashboard providing access to QSAR predictions (QSAR2020). International Workshop on (Quantitative) Structure-Activity Relationships in Environmental and Health Sciences (QSAR2020), Durham, NC, June 08 - 11, 2020.