AI for Interpretable Chemistry: Predicting Radical Mechanistic Pathways via Contrastive Learning. - Mohammadamin Tavakoli; Pierre Baldi; Ann Marie Carlton; Yin Ting T. Chiu; Alexander Shmakov; David Van Vranken (NeurIPS, 2023)

RMechDB: A Public Database of Elementary Radical Reaction Steps. - Mohammadamin Tavakoli; Yin Ting T. Chiu; Pierre Baldi; Ann Marie Carlton; David Van Vranken (J. Chem. Inf. Model., 2023)

Chemically Informed Deep Learning for Interpretable Radical Reaction Prediction. - Mohammadamin Tavakoli; Yin Ting T. Chiu; Ann Marie Carlton; David Van Vranken; Pierre Baldi (J. Chem. Inf. Model., 2025)