Publications

Patlewicz G, Nelms MN, Rua D. 2022. Evaluating the utility of the Threshold of Toxicological Concern (TTC) and its exclusions in the biocompatibility assessment of extractable chemical substances from medical devices. Comput Toxicol 24(Nov):100246; doi: 10.1016/j.comtox.2022.100246. PMID: 36405647.

Cronin MTD, Bauer FJ, Bonnell M, Campos B, Ebbrell DJ, Firman JW, Gutsell S, Hodges G, Patlewicz G, et al. 2022. A scheme to evaluate structural alerts to predict toxicity–Assessing confidence by characterizing uncertainties. Regul Toxicol Pharmacol 135(Nov):105249; doi: 10.1016/j.yrtph.2022.105249. PMID: 36041585.

Patlewicz G, Richard AM, Williams AJ, Judson RS, Thomas RS. 2022. Towards reproducible structure-based chemical categories for PFAS to inform and evaluate toxicity and toxicokinetic testing. Comput Toxicol 24(Nov):100250; doi: 10.1016/j.comtox.2022.100250. PMID: 36969381.

Foster MJ, Patlewicz G, Shah I, Haggard DE, Judson RS, Paul Friedman K. 2022. Evaluating structure-based activity in a high throughput assay for steroid biosynthesis. Comput Toxicol 24(Nov):100245; doi: 10.1016/j.comtox.2022.100245. PMID: 37841081.

Patlewicz G, Richard A, Williams A, Judson R, Thomas R. Towards reproducible structure-based chemical categories for PFAS to inform and evaluate toxicity and toxicokinetic testing. American Society for Cellular and Computation Toxicology 11^th Annual Meeting, Chapel Hill, NC, October 2022.

Patlewicz G, Shah I. Towards systematic read-across using Generalised Read-Across (GenRA). American Society for Cellular and Computation Toxicology 11^th Annual Meeting, Chapel Hill, NC, October 2022.

Nicolas CI, Linakis MW, Minto MS, Mansouri K, Clewell RA, Yoon M, Wambaugh JF, Patlewicz G, et al. 2022. Estimating provisional margins of exposure for data poor chemicals using high throughput computational methods. Front Pharmacol 13(Oct 7):980747; doi: 10.3389/fphar.2022.980747. PMID: 36278238.

Carstens K, Carpenter A, FreudenrichT, Wallace K, Choo S, Patlewicz G, et al. Evaluation of per- and poly fluoroalkyl substances (PFAS) in vitro toxicity testing for developmental neurotoxicity. American Society for Cellular and Computation Toxicology 11^th Annual Meeting, Chapel Hill, NC, October 2022.

Hagan B, Patlewicz G, Shah I. Metabolic similarity in read-across prediction: A case study in using graph kernels and predicted metabolism information. American Society for Cellular and Computation Toxicology 11^th Annual Meeting, Chapel Hill, NC, October 2022

Ponder J, Rajagopal R, Singal M, Baker N, Patlewicz G, Roggen E, Cochrane S, Sullivan K. 2022. “In Litero” screening. Retrospective evaluation of clinical evidence to establish a reference list of human chemical respiratory sensitizers. Front Toxicol 4(Jul 15):916370; doi: 10.3389/ftox.2022.916370. PMID: 35910543.

Karmaus A, Mansouri K, To K, Blake B, Fitzpatrick J, Strickland J, Patlewicz G, Allen D, et al. 2022. Evaluation of variability across rat acute oral systemic toxicity studies. Toxicol Sci 188(1):34-47; doi: 10.1093/toxsci/kfac042. PMID: 35426934.

Roell K, Koval LE, Boyles R, Patlewicz G, Ring C, Rider CV, Ward-Caviness C, Reif D, et al. 2022. Development of the intelligence and machine learning toolkit (TAME) for introductory data science, chemical-biological analyses, predictive modelling, and database mining for environmental health research. Front Toxicol 4(Jun 22):893924; doi: 10.3389/ftox.2022.893924. PMID: 35812168.

Patlewicz G. 2022. Editorial: Reflections of the QSAR2021 meeting. Comput Toxicol 22(May):100221; doi: 10.1016/j.comtox.2022.100221. PMID: 35252631.

Carlson LM, Angrish M, Shirke AV, Radke EG, Schulz B, Kraft A, Judson RS, Patlewicz G, et al. 2022. Systematic evidence map for over one hundred and fifty per- and polyfluoroalkyl substances (PFAS). Environ Health Perspect 130(5):56001; doi: 10.1289/EHP10343. PMID: 35580034.

Patlewicz G, Worth AP, Yang C, Zhu T. 2022. Editorial: Advances and refinements in the development and application of threshold of toxicological concern. Front Toxicol 4(Apr 28):882321; doi: 10.3389/ftox.2022.882321. PMID: 35573274.

Williams AJ, Gaines LG, Grulke CM, Lowe CN, Sinclair G, Samano V, Thillainadarajah I, Meyer B, Patlewicz G, Richard AM. 2022. Assembly and curation of list of per- and polyfluoroalkyl substances (PFAS) to support environmental science research. Front Environ Sci 10(Apr 5):1-13; doi: 10.3389/fenvs.2022.850019. PMID: 35936994.

Richard AM, Hidle H, Patlewicz G, Williams AJ. 2022. Identification of branched and linear forms of PFOA and potential precursors: A user-friendly SMILES structure-based approach. Front Environ Sci 10(Mar 24):865488; doi: 10.3389/fenvs.2022.865488. PMID: 35494535.

Boyce M, Meyer B, Grulke C, Lizarraga L, Patlewicz G. 2022. Comparing the performance and coverage of selected in silico (liver) metabolism tools related to reported studies in the literature to inform analogue selection in read-across: A case study. Comput Toxicol 21(Feb):100208; doi: 10.1016/j.comtox.2021.100208. PMID: 35386221.

Beal MA, Gagne M, Kulkarni SA, Patlewicz G, Thomas RS, Barton-Maclaren TS. 2022. Implementing in vitro bioactivity to modernize priority setting of chemical inventories. ALTEX 39(1):123-139; doi: 10.14573/altex.2106171. PMID: 34818430.

Wang Z, Buser A, Cousins I, Demattio S, Drost W, Johansson O, Ohno K, Patlewicz G, et al. 2021. A new OECD definition for per- and polyfluoroalkyl substances. Environ Sci Technol 55(23):15575-15578; doi: 10.1021/acs.est.1c06896. PMID: 34751569.