In Silico

Vishwanatha M. Rao, Serena Zhang, Brian S. Plosky, et al. Generalist biological artificial intelligence in modeling the language of life. Nature Biotechnology. 2026:1-16. doi:10.1038/s41587-026-03064-w

Davide Ortolan, Pushkar Sathe, Andrei Volkov, et al. AI driven 3D subcellular RPE map discovers cell state transitions in establishment of apical-basal polarity. npj Artificial Intelligence. 2026;2(1):20. doi:10.1038/s44387-026-00074-6

Laura Lotfi, T. William O’Neill, Angela Wilcox, Steven Bulera. Virtual control groups in nonclinical research: A Re-analysis of 20 studies using virtual control group data. Regulatory Toxicology and Pharmacology. 2026;168:106077. doi:10.1016/j.yrtph.2026.106077

Yinjun Jia, Bowen Gao, Jiaxin Tan, et al. Deep contrastive learning enables genome-wide virtual screening. Science. 2026;391(6781):eads9530. doi:10.1126/science.ads9530

Alessandra Roncaglioni, Simona Kovarich, Kamel Mansouri, Igor V. Tetko. Advancing Human and Environmental Safety Science Using In Silico Methods. Chemical Research in Toxicology. 2025;38(8):1281-1282. doi:10.1021/acs.chemrestox.5c00293

Thomas Hartung, Maurice Whelan, Weida Tong, Robert M. Califf. Is regulatory science ready for artificial intelligence? npj Digital Medicine. 2025;8(1):1-5. doi:10.1038/s41746-025-01596-0

Amit Gangwal, Antonio Lavecchia. Artificial intelligence in preclinical research: enhancing digital twins and organ-on-chip to reduce animal testing. Drug Discovery Today. 2025;30(5):104360. doi:10.1016/j.drudis.2025.104360

Francesca Pistollato, Fabia Furtmann, Lindsay J. Marshall, et al. Advancing the frontier of rare disease modeling: a critical appraisal of in silico technologies. npj Digital Medicine. 2025;8(1):676. doi:10.1038/s41746-025-02068-1

William C. Wright, Min Pan, Gregory A. Phelps, et al. An open-source screening platform accelerates discovery of drug combinations. Nature Communications. 2025;16(1):11005. doi:10.1038/s41467-025-66223-8

Alexandra Maertens, Thomas Luechtefeld, Jean Knight, Thomas Hartung. Alternative methods go green! Green toxicology as a sustainable approach for assessing chemical safety and designing safer chemicals. ALTEX. 2024;41(1):3-19. doi:10.14573/altex.2312291