ML Maps Kinetics of Nickel-Catalyzed Coupling Instead of Yield

New work applies ML to model hidden reaction rates and kinetics rather than yields, showing that in nickel cross-coupling, mismatched activation pathways of aryl and alkyl partners let side reactions dominate, turning the system into a kinetic map.

2026-09-24 ~ 2026-09-24 · 2 related posts

• Predict rates, not yield: ML kinetic maps explain nickel cross-coupling failures — bravo_abad · 2026-09-24
• Predict hidden reaction rates, not yields: rethinking AI models for chemical discovery — bravo_abad · 2026-09-24