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Artificial Intelligence in the Life Sciences|October 10, 2022
The Commoditization of AI for Molecule DesignFabio Urbina, Sean EkinsCurrent Opinion in Chemical Biology|July 18, 2021
Recent advances in drug repurposing using machine learningFabio Urbina, Ana C Puhl, Sean EkinsNature Machine Intelligence|October 10, 2022
Dual Use of Artificial Intelligence-powered Drug DiscoveryFabio Urbina, Filippa Lentzos, Cédric Invernizzi, et al.Journal of Chemical Information and Modeling|January 25, 2023
Preventing AI From Creating Biochemical ThreatsFabio Urbina, Filippa Lentzos, Cédric Invernizzi, et al.Journal of Chemical Health & Safety|July 17, 2023
Comparing LD<sub>50</sub>/LC<sub>50</sub> Machine Learning Models for Multiple SpeciesThomas R Lane, Joshua Harris, Fabio Urbina, et al.ACS Chemical Neuroscience|May 24, 2021
Comparing the Pfizer Central Nervous System Multiparameter Optimization Calculator and a BBB Machine Learning ModelFabio Urbina, Kimberley M Zorn, Daniela Brunner, et al.Drug Discovery Today|September 12, 2022
Combining DELs and machine learning for toxicology predictionVincent Blay, Xiaoyu Li, Jacob Gerlach, et al.Drug Metabolism and Disposition: the Biological Fate of Chemicals|October 8, 2025
Applicability domain-expansion studies for machine learning models reveal new inhibitors of CYP2B6Patricia A Vignaux, Joshua S Harris, Fabio Urbina, et al.ACS Omega|June 13, 2022
MegaSyn: Integrating Generative Molecular Design, Automated Analog Designer, and Synthetic Viability PredictionFabio Urbina, Christopher T Lowden, J Christopher Culberson, et al.Xenobiotica; the Fate of Foreign Compounds in Biological Systems|August 4, 2023
<i>In silico</i> ADME/tox comes of age: twenty years laterSean Ekins, Thomas R Lane, Fabio Urbina, et al.Pageof 36