Publications

Greene N. The role of AI in advancing drug discovery. Abstract 1055, Society of Toxicology 65^th Annual Meeting, San Diego, CA, March 2026.

Snyder K, Greene N, De Nieu M, Anger L, Shah F. Developing predictive models to facilitate interpretation of toxicology study results. Symposium co-chair, Symposium S04, American College of Toxicology (ACT) 46^th Annual Meeting, Phoenix, AZ, November 2025.

Seal S, Trapotsi M, Subramanian V, Spjuth O, Greene N, Bender A. 2025. PKSmart: An open-source computational model to predict in vivo pharmacokinetics of small molecules. J Cheminform 17(1):147; doi: 10.1186/s13321-025-01066-5. PMID: 41013647.

Hanser T, Ahlberg E, Amberg A, Anger LT, Barber C, Brennan RJ, Brigo A,…, Greene N, et al. 2025. Data-driven federated learning in drug discovery with knowledge distillation. Nat Mach Intell 7(Mar):423–436; doi: 10.1038/s42256-025-00991-2.

Seal S, Trapotsi MA, Spjuth O, Singh S, Carreras-Puigvert J, Greene N, Bender A, Carpenter AE. 2025. Cell painting: A decade of discovery and innovation in cellular imaging. Nat Meth 22(2):254-268; doi: 10.1038/s41592-024-02528-8. PMID: 39639168.

Gawehn E, Greene N, Miljković F, Obrezanova O, Subramanian V, Trapotsi M, Winiwarter S. 2024. Perspectives on the use of machine learning for ADME prediction at AstraZeneca. Xenobiotica 54(7):368-378; doi: 10.1080/00498254.2024.2352598. PMID: 39166404.

Kenyon MO, Martin M, Martin EA, Brandstetter S, Wegesser T, Greene N, Harvey J. 2024. Deriving acceptable limits for non-mutagenic impurities in medicinal products–Durational adjustments. Regul Toxicol Pharmacol 150(June):105644; doi: 10.1016/j.yrtph.2024.105644. PMID: 38761968.

Snodin DJ, Trejo-Martin A, Ponting DJ, Smith GF, Czich A, Cross K, Custer L,… Greene N, et al. 2024. Mechanisms of nitrosamine mutagenicity and their relationship to rodent carcinogenic potency. Chem Res Toxicol 37(2):181-198; doi: 10.1021/acs.chemrestox.3c00327. PMID: 38316048.

Bak A, Burlage R, Greene N, Nambiar P, Lu X, Templeton A. 2024. Accelerating drug product development and approval: Early development and evaluation. Pharm Res 41(1):1-6; doi: 10.1007/s11095-023-03566-1. PMID: 37552384.

Wright PSR, Briggs KA, Thomas R, Smith GF, Maglennon G, Mikulskis P, Chapman M, Greene N, et al. 2023. Statistical analysis of preclinical interspecies concordance of histopathological findings in the eTOX database. Regul Toxicol Pharmacol 138(Feb):105308; doi: 10.1016/j.yrtph.2022.105308. PMID: 36481279.

Wright PSR, Smith GF, Briggs KA, Thomas R, Maglennon G, Mikulskis P, Chapman M, Greene N, et al. 2023. Retrospective analysis of the potential use of virtual control groups in preclinical toxicity assessment using the eTOX database. Regul Toxicol Pharmacol 138(Feb):105309; doi: 10.1016/j.yrtph.2022.105309. PMID: 36481280.

Obrezanova O, Martinsson A, Whitehead T, Mahmoud S, Bender A, Miljković F, Grabowski P,…, Greene N. 2022. Prediction of in vivo pharmacokinetic parameters and time–exposure curves in rats using machine learning from the chemical structure. Molec Pharm 19(5):1488-1504; doi: 10.1021/acs.molpharmaceut.2c00027. PMID: 35412314.

Bai P, Miljković F, Ge Y, Greene N, John B, Lu H. Hierarchical clustering split for low-bias evaluation of drug-target interaction prediction. IEEE International Conference on Bioinformatics and Biomedicine (BIBM); doi: 10.1109/BIBM52615.2021.966915. Houston, TX, December 2021.

Miljković F, Martinsson A, Obrezanova O, Williamson B, Johnson M, Sykes A, Bender A, Greene N. 2021. Machine learning models for human in vivo pharmacokinetic parameters with in-house validation. Molec Pharm 18(12):4520-4530; doi: 10.1021/acs.molpharmaceut.1c00718. PMID: 34758626.

Bassan A, Alves VM, Amberg A, Anger LT, Auerbach S, Beilke L, Bender A…, Greene N, et al. 2021. In silico approaches in organ toxicity hazard assessment: Current status and future needs in predicting liver toxicity. Computation Toxicol 20(Nov):100187; doi: 10.1016/j.comtox.2021.100187. PMID: 35340402.

Wright PSR, Briggs KA, Thomas R, Smith GF, Maglennon G, Mikulskis P, Chapman M, Greene N, Bender A. The impact of pooling animal histopathology control data on the statistical detection of treatment-related findings. Abstract SOC02-05, 56^th Congress of the European Societies of Toxicology (EUROTOX 2021). Toxicol Lett 350(Sup):S63; doi: 10.1016/S0378-4274(21)00395-7, 2021.

Giblin KA, Basili D, Afzal AM, Rosenbrier-Ribeiro L, Greene N, Barrett I, Hughes SJ, Bender A. 2021. New associations between drug-induced adverse events in animal models and humans reveal novel candidate safety targets. Chem Res Toxicol 34(2):438-451; doi: 10.1021/acs.chemrestox.0c00311. PMID: 33338378.

Sturm N, Mayr A, Le Van T, Chupakhin V, Ceulemans H, Wegner J, Golib-Dzib J-F,…, Greene N, et al. 2020. Industry-scale application and evaluation of deep learning for drug target prediction. J Cheminform 12(1):26; doi: 10.1186/s13321-020-00428-5. PMID: 33430964.

Svensson F, Zoufir A, Mahmoud S, Afzal AM, Snit S, Giblin KA, Clements PJ,…, Greene N, et al. 2018. Information-derived mechanistic hypotheses for structural cardiotoxicity. Chem Res Toxicol 31(11):1119-1127; doi: 10.1021/acs.chemrestox.8b00159. PMID: 30350600.

DeGeorge J, Robertson S, Butler L, Derzi M, Stoch SA, Diaz D, Hartke J,…, Greene N. 2018. An industry perspective on the 2017 EMA guideline on first‐in‐human and early clinical trials. Clin Pharm Ther 103(4):566-569; doi: 10.1002/cpt.984. PMID: 29285748.