In Silico

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

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

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

Danilo Bzdok, Andrew Thieme, Oleksiy Levkovskyy, Paul Wren, Thomas Ray, Siva Reddy. Data science opportunities of large language models for neuroscience and biomedicine. Neuron. 2024. doi:10.1016/j.neuron.2024.01.016

Madura KP Jayatunga, Margaret Ayers, Lotte Bruens, Dhruv Jayanth, Christoph Meier. How successful are AI-discovered drugs in clinical trials? A first analysis and emerging lessons. Drug Discovery Today. 2024;29(6):104009. doi:10.1016/j.drudis.2024.104009

Nicole Kleinstreuer, Thomas Hartung. Artificial intelligence (AI)-it’s the end of the tox as we know it (and I feel fine). Archives of Toxicology. 2024. doi:10.1007/s00204-023-03666-2

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

Thomas Hartung. ToxAIcology - The evolving role of artificial intelligence in advancing toxicology and modernizing regulatory science. ALTEX. 2023;40(4):559-570. doi:10.14573/altex.2309191

Weihai Ying. Phenomic Studies on Diseases: Potential and Challenges. Phenomics. 2023;3(3):285-299. doi:10.1007/s43657-022-00089-4

Pauric Bannigan, Zeqing Bao, Riley J. Hickman, et al. Machine learning models to accelerate the design of polymeric long-acting injectables. Nature Communications. 2023;14(1):35. doi:10.1038/s41467-022-35343-w