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Journal of Chemical Information and Modeling|November 16, 2021
COVID-19 Knowledge Extractor (COKE): A Curated Repository of Drug-Target Associations Extracted from the CORD-19 Corpus of Scientific Publications on COVID-19Daniel Korn, Vera Pervitsky, Tesia Bobrowski, et al.Biorxiv : the Preprint Server for Biology|July 21, 2022
Small Molecule Antiviral Compound Collection (SMACC): a database to support the discovery of broad-spectrum antiviral drug moleculesHolli-Joi Martin, Cleber C Melo-Filho, Daniel Korn, et al.Biotechnology and Bioengineering|January 19, 2026
Adaptive Machine Learning Framework for Optimizing the Affinity Purification of Adeno-Associated Viral VectorsKelvin P Idanwekhai, Shriarjun Shastry, Morgan R Hurst, et al.Toxics|November 26, 2024
A Novel Machine Learning Model and a Web Portal for Predicting the Human Skin Sensitization Effects of Chemical AgentsRicardo Scheufen Tieghi, José Teófilo Moreira-Filho, Holli-Joi Martin, et al.Communications Chemistry|January 25, 2023
Generative and reinforcement learning approaches for the automated de novo design of bioactive compoundsMaria Korshunova, Niles Huang, Stephen Capuzzi, et al.Biorxiv : the Preprint Server for Biology|July 19, 2024
Heli-SMACC: Helicase-targeting SMAll Molecule Compound CollectionHolli-Joi Martin, Mohammad A Hossain, James Wellnitz, et al.Journal of the American Medical Informatics Association : JAMIA|May 12, 2019
A novel approach for exposing and sharing clinical data: the Translator Integrated Clinical and Environmental Exposures ServiceKaramarie Fecho, Emily Pfaff, Hao Xu, et al.Green Chemistry : an International Journal and Green Chemistry Resource : GC|June 21, 2017
QSAR models of human data can enrich or replace LLNA testing for human skin sensitizationVinicius M Alves, Stephen J Capuzzi, Eugene Muratov, et al.Journal of the American Chemical Society|March 12, 2024
Cheminformatics-Guided Cell-Free Exploration of Peptide Natural ProductsJarrett M Pelton, Joshua E Hochuli, Patric W Sadecki, et al.Toxicological Sciences : an Official Journal of the Society of Toxicology|August 2, 2022
PreS/MD: Predictor of Sensitization Hazard for Chemical Substances Released From Medical DevicesVinicius M Alves, Joyce V B Borba, Rodolpho C Braga, et al.Pageof 26