RDCanon: A Python Package for Canonicalizing the Order of Tokens in SMARTS Queries. - Babak A. Mahjour; Connor W. Coley (J. Chem. Inf. Model., 2024)

Challenging reaction prediction models to generalize to novel chemistry. - John Bradshaw; Anji Zhang; Babak A. Mahjour; David E. Graff; Marwin H. S. Segler; Connor W. Coley (CoRR, 2025)