Communication through molecular bridges: Different bridge orbital trends result in common property trends. - Jonny Proppe; Carmen Herrmann (J. Comput. Chem., 2015)

Computational Systems Chemistry with Rigorous Uncertainty Quantification. - Jonny Proppe (2018)

A Multi-label, Dual-Output Deep Neural Network for Automated Bug Triaging. - Christopher A. Choquette-Choo; David Sheldon; Jonny Proppe; John Alphonso-Gibbs; Harsha Gupta (ICMLA, 2019)

Theoretical Studies of the Acid-Base Equilibria in a Model Active Site of the Human 20S Proteasome. - Jon Uranga; Lukas Hasecke; Jonny Proppe; Jan Fingerhut; Ricardo A. Mata (J. Chem. Inf. Model., 2021)

regAL: Python Package for Active Learning of Regression Problems. - Elizaveta Surzhikova; Jonny Proppe (CoRR, 2024)

Predicting and Explaining Yields with Machine Learning for Carboxylated Azoles and Beyond. - Kerrin Janssen; Jonny Proppe (J. Chem. Inf. Model., 2025)