Accurate Atom-Mapping Computation for Biochemical Reactions. - Mario Latendresse; Jeremiah P. Malerich; Mike Travers; Peter D. Karp (J. Chem. Inf. Model., 2012)

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)