Jul 2026
Learning Mechanistic Reasoning for Chemical Reactions with Large Language Models.
A novel, large-scale reasoning dataset of reaction mechanisms, and the FukuyamaBench, a difficult benchmark derived from Fukuyama's Advanced Organic Reaction Mechanism book, to rigorously evaluate model performance on hierarchical mechanism reasoning, demonstrate that mechanism-aware training substantially enhances chemical reasoning in language models.
Xingyu Dang, Haocheng Tang, Junmei Wang et al.
· arXiv.org · 0 citations