Group news

Smarter Phosphine Ligand Screening Sets

Great to see this collaboration with Neal Sach and the team at Pfizer from Jamie's time as a postdoc at the University of Utah out now in OPRD! This work developed an iterative workflow that rebalances steric and electronic descriptors to build better phosphine ligand training sets. Applied to a pharmaceutically relevant cross-coupling, it improved model predictions and yielded a redesigned screening set, offering a template for catalyst screening in process chemistry.

Smarter Phosphine Ligand Screening Sets

Date posted: Oct. 28, 2026 | Category: Publications