Xingyu Dang

Learning Mechanistic Reasoning for Chemical Reactions with Large Language Models

Xingyu Dang, Haocheng Tang, Junmei Wang, Yanjun Li

Reaction mechanisms consist of the step-by-step sequences of elementary reactions that explain chemical transformations. Learning the mechanism logic is therefore essential for enhancing the fundamental chemical intelligence of large language models (LLMs). The stepwise deduction…Read more