ChemDFM-R: A Chemical Reasoning LLM Enhanced with Atomized Chemical Knowledge

arXiv:2507.21990v4 Announce Type: replace-cross Abstract: Atomized chemical knowledge, such as functional group information of molecules and reactions, plays a pivotal intermediate role in the reasoning process that connects molecular structures with their properties and reactivities. While large language models (LLMs) have achieved impressive progress, the absence of atomized chemical knowledge results in their superficial understanding of chemistry and limited chemical reasoning capabilities.