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Computer Methods and Programs in Biomedicine|October 7, 2008
Dimensionality reduction for knowledge discovery in medical claims database: application to antidepressant medication utilization studySamuel H Huang, Lawson R Wulsin, Hua Li, et al.Chimia|December 4, 2023
Fuelling the Digital Chemistry Revolution with Language ModelsAntonio Cardinale, Alessandro Castrogiovanni, Theophile Gaudin, et al.Chemical Science|March 15, 2024
Sample efficient reinforcement learning with active learning for molecular designMichael Dodds, Jeff Guo, Thomas Löhr, et al.Journal of the American Chemical Society|June 2, 2025
Lithium-Mediated Ammonia Electrosynthesis over Orderly Arranged Dipoles Regulated Solid-Electrolyte InterphaseFangying Duan, Junwu Chen, Mengfei Zhang, et al.Bioinformatics (Oxford, England)|September 8, 2022
Icolos: a workflow manager for structure-based post-processing of de novo generated small moleculesJ Harry Moore, Matthias R Bauer, Jeff Guo, et al.Journal of the American Chemical Society|February 20, 2026
Boosting Computational Catalysis and Chemical Reactivity with Artificial IntelligenceKonstantinos D Vogiatzis, Clémence Corminboeuf, Ainara Nova, et al.Nature|January 15, 2025
Targeting protein-ligand neosurfaces with a generalizable deep learning toolAnthony Marchand, Stephen Buckley, Arne Schneuing, et al.Genetics in Medicine : Official Journal of the American College of Medical Genetics|August 26, 2025
ThinkRare: A search algorithm to identify patients with undiagnosed rare genetic disease in an electronic medical recordGrace U Ediae, Alexandre White-Brown, Caitlin Chisholm, et al.Journal of Cheminformatics|November 18, 2021
DockStream: a docking wrapper to enhance de novo molecular designJeff Guo, Jon Paul Janet, Matthias R Bauer, et al.Proceedings of the National Academy of Sciences of the United States of America|November 26, 2024
Could ChatGPT get an engineering degree? Evaluating higher education vulnerability to AI assistantsBeatriz Borges, Negar Foroutan, Deniz Bayazit, et al.Pageof 6