Publications

Wambaugh JF, Sipes NS, Padilla Mercado G, Arnot JA, Bertato L, Brown TN, Chirico N,…, Patlewicz G, et al. 2026. Collaborative evaluation of in silico predictions for high throughput toxicokinetics. Toxicol In Vitro 110(Jan):106150; doi: 10.1016/j.tiv.2025.106150. ePub September 20, 2025. PMID: 40983213.

Patlewicz G, Charest N, Ross A, Bledsoe HC, Vidal J, Faramarzi S, Hagan B, Shah I. 2025. Building a compendium of expert driven read-across cases to facilitate an analysis of the contribution that different similarity contexts play in read-across performance. Comput Toxicol 35(Sept):100366; doi: 10.1016/j.comtox.2025.100366.

Nyffeler J, Harris FR, Willis C, Byrd G, Blackwell B, Escher BI, Kasparek A, Nichols J,…, Patlewicz G, et al. 2025. A combination of high-throughput in vitro and in silico new approach methods (NAMs) for ecotoxicology hazard assessment for fish. Environ Toxicol Chem 44(9):2599-2621; doi: 10.1093/etojnl/vgae083. PMID: 39937625.

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.

Patlewicz G, Judson, Paul Friedman K, Wetmore BA, DeVito MJ, Harrill JA, Carstens KE, Houck KA, et al. 2025. Insights derived from testing a library of per- and polyfluoroalkyl substances (PFAS) in a battery of new approach methods (NAMs). J Toxicol Environ Health B online ahead of print July 6; doi: 10.1080/10937404.2025.2521615. PMID: 40619890.

Kenyon EM, DeVito MJ, Patlewicz G, Adams LD, Thomas RS, Ambroso JL, Yang X, Blake JC, et al. 2025. Subchronic toxicity of four per- and polyfluoroalkyl substances by oral exposure in Sprague Dawley rats. Toxics 13(7):524; doi: 10.3390/toxics13070524. PMID: 40710969.

Leary A, Shah I, Patlewicz G. 2025. An exploration of the use of hybrid fingerprints in Generalized Read-Across and their impact on predictive performance for selected in vivo toxicity outcomes. Comput Toxicol 34(June):100349; doi: 10.1016/j.comtox.2025.100349.

Hagan B, Shah I, Patlewicz G. 2025. Can graph similarity metrics be helpful for analogue identification as part of a read-across approach? Comput Toxicol 34(June):100353; doi: 10.1016/j.comtox.2025.100353.

Hughes MF, DeVito MJ, Patlewicz G, Thomas RS, Adams LD, Ambroso JL, Yang X, Upadhyay BG, et al. 2025. Immunotoxicity of four per- and polyfluoroalkyl substances following 28-day oral repeat dosing in rats assessed by the anti-sheep red blood IgM response. Toxics 13(6):490; doi: 10.3390/toxics13060490. PMID: 40559963.

Hagan B, Groff L, Patlewicz G, Shah. 2025. Toward metabolic similarity in read-across: A case study using graph convolutional networks to predict genotoxicity outcomes. Chem Res Toxicol 38(6):1122-1133; doi: 10.1021/acs.chemrestox.5c00120. PMID: 40432291.

Payton A, Hickman, Chappel J, Roell KR, Koval LA, Eaves LA, Chou CK,…, Patlewicz G, et al. 2025. TAME 2.0: Expanding and improving online data science training for environmental health research. Front Toxicol 7(Feb 12):1535098; doi: 10.3389/ftox.2025.1535098. PMID: 40012886.

Patlewicz G, Williams AJ, Adams M, Shah I, Paul-Friedman K. 2025. A cheminformatics workflow to select representative TSCA chemicals for New Approach Methodology (NAM) screening. Chem Res Toxicol 38(1):129-144; doi: 10.1021/acs.chemrestox.4c00367. PMID: 39655894.

Firman JW, Boobis A, Hollnagel HM, Kaiser S, Lovell DP, Moretto A, Muller S,…, Patlewicz G. 2024. Evaluating the consistency of judgements derived through both in silico and expert application of the Cramer classification scheme. Food Chem Toxicol 194(Dec):115070; doi: 10.1016/j.fct.2024.115070. PMID: 39447833.

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.

Hagan B, Patlewicz G, Shah I. Metabolic similarity in read-across prediction: A case study using graph convolutional networks to predict genotoxicity outcomes from metabolic networks. Abstract 62, American Society for Cellular and Computation Toxicology 13th Annual Meeting, Research Triangle Park, NC, October 2024.

Leary AJ, Patlewicz G, Shah I. An exploration of the use of hybrid fingerprints in generalized read-across and their impact on predictive performance for selected in vivo toxicity outcomes. Abstract 42, American Society for Cellular and Computation Toxicology 13th Annual Meeting, Research Triangle Park, NC, October 2024.

Rogers JD, Patlewicz G, Baker E, Bettmann A, Clippinger A, Paul Friedman K. High-throughput safety pharmacology screening to better understand data-poor chemicals. Abstract 57, American Society for Cellular and Computation Toxicology 13^th Annual Meeting, Research Triangle Park, NC, October 2024.

Patlewicz G, Judson RS, Williams AJ, Butler T, Barone Jr. S, Carstens K, Cowden J, Dawson JD, et al. 2024. Development of chemical categories for per- and polyfluoroalkyl substances (PFAS) and the proof-of-concept approach to the identification of potential candidates for tiered toxicological testing and human health assessment. Comput Toxicol 131(Sep 1):100327; doi: 10.1016/j.comtox.2024.100327. PMID: 40547594.

Patlewicz G, Karamertzanis P, Paul-Friedman K, Sannicola M, Shah I. 2024. A systematic analysis of read-across within REACH registration dossiers. Comput Toxicol 30(June):100304; doi: 10.1016/j.comtox.2024.100304. PMID: 38993812.

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.