2025
Karamertzanis PG, Rasenberg M, Shah I, Patlewicz G . 2025. Modelling in vitro mutagenicity using multi-task deep learning and REACH data. Chem Res Toxicol 38(8):1382-1407; doi: 19.1021/acs.chemrestox.5c00152 . PMID: 40680271.
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Publication: Manuscripts
2024
Covington TR, Borghoff SJ , Bacigalupi L, O’Neal S, Cook B, Nelms M, et al. Prediction of chemical suitability for screening in a high-throughput assay platform using an in silico mass balance model. American Society of Cellular and Computational Toxicology Annual Meeting, Research Triangle Park, NC, October 2024.
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Publication: Abstracts and Presentations
Banerjee A, Kar S, Roy K, Patlewicz G , Charest N, Benfenati E, Cronin MTD. 2024. Molecular similarity in chemical informatics and predictive toxicity modeling: From quantitative read-across (q-RA) to quantitative read-across structure-activity relationship (q-RASAR) with the application of machine learning. Crit Rev Toxicol 54(9):659-684; doi: 10.1080/10408444.2024.2386260 . PMID: 39225123.
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Publication: Manuscripts
Perry CS , Verwiel AH, Covington TR, Proctor DM. 2024. PBPK modeling demonstrates that exposure time adjustment is unnecessary for setting an acute manganese inhalation exposure guideline. Regul Toxicol Pharmacol 153(Nov):105698; doi: 10.1016/j.yrtph.2024.105698 . PMID: 39251127.
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Publication: Manuscripts
Groff L, Williams A, Shah I, Patlewicz G . 2024. MetSim: Integrated programmatic access and pathway management for xenobiotic metabolism simulators. Chem Res Toxicol 37(5):685-697; doi: 10.1021/acs.chemrestox.3c00398 . PMID: 38598715.
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Publication: Manuscripts
2023
Racz L, Mittal L , Perry CS , Blanchette A, Proctor D. Assessing sustainable applications of electric arc furnace steel slag as construction aggregate: Applications of probabilistic risk assessment and physiologically-based pharmacokinetic modeling. Poster presented at Society of Environmental Toxicology and Chemistry North America 44th Annual Meeting, Louisville, KY, November 2023.
Publication: Abstracts and Presentations
Perry CS , Blanchette AD, Vivanco SN, Verwiel AH, Proctor DM. 2023. Use of physiologically based pharmacokinetic modeling to support development of an acute (24-hour) health-based inhalation guideline for manganese. Regul Toxicol Pharmacol 145:105518; doi: 10.1016/j.yrtph.2023.105518 . PMID: 3786341.
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Publication: Manuscripts
Thompson CM , Kirman C, Harris MA. 2023. Derivation of oral cancer slope factors for hexavalent chromium informed by pharmacokinetic models and in vivo genotoxicity data. Regul Toxicol Pharmacol 145(Dec):105521; doi: 10.1016/j.yrtph.2023.105521 . PMID: 37863416.
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Publication: Manuscripts
Patlewicz G , Paul Friedman K, Houck K, Zhang L, Huang R, Xia M, Brown J, Simmons SO. 2023. Evaluating the utility of a high throughput thiol-containing fluorescent probe to screen for reactivity: A case study with the Tox21 library. Comput Toxicol 26(May):100271; doi: 10.1016/j.comtox.2023.100271 . PMID: 37388277.
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Publication: Manuscripts
2022
Zwickl CM, Graham JC, Holly RA, Bassan A, Ahlberg E, Amberg A, Anger LT,.., Patlewicz G , et al. 2022. Principles and procedures for assessment of acute toxicity incorporating in silico methods. Comput Toxicol 24(Nov):100237; doi: 10.1016/j.comtox.2022.100237 . PMID: 36818760.
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