Machine learning models identify molecules active against the Ebola virus in vitro. - Sean Ekins; Joel S. Freundlich; Alex M. Clark; Manu Anantpadma; Robert A. Davey; Peter B. Madrid (F1000Research, 2015)

Machine Learning Models Identify Inhibitors of SARS-CoV-2. - Victor O. Gawriljuk; Phyo Phyo Kyaw Zin; Ana C. Puhl; Kimberley M. Zorn; Daniel H. Foil; Thomas R. Lane; Brett Hurst; Tatyana Almeida Tavella; Fabio Trindade Maranhão Costa; Premkumar Lakshmanane; Jean Bernatchez; Andre S. Godoy; et al. (J. Chem. Inf. Model., 2021)

SynKB: Semantic Search for Synthetic Procedures. - Fan Bai 006; Alan Ritter; Peter B. Madrid; Dayne Freitag; John Niekrasz (EMNLP (Demos), 2022)

Machine Learning Models for Predicting Molecular UV-Vis Spectra with Quantum Mechanical Properties. - Andrew D. McNaughton; Rajendra P. Joshi; Carter R. Knutson; Fnu Anubhav; Kevin J. Luebke; Jeremiah P. Malerich; Peter B. Madrid; Neeraj Kumar (J. Chem. Inf. Model., 2023)

SynRoute: A Retrosynthetic Planning Software. - Mario Latendresse; Jeremiah P. Malerich; James Herson; Markus Krummenacker; Judy Szeto; Vi-Anh Vu; Nathan Collins; Peter B. Madrid (J. Chem. Inf. Model., 2023)