2 papers
cs.CE2025
ChemDFM-R: A Chemical Reasoning LLM Enhanced with Atomized Chemical Knowledge
Zihan Zhao, Ziping Wan, Lu Chen +12
Atomized chemical knowledge, such as functional group information of molecules and reactions, plays a pivotal intermediate role in the reasoning process that connects molecular str…
cs.CE2025
RetroDFM-R: Reasoning-Driven Retrosynthesis Prediction with Large Language Models via Reinforcement Learning
Situo Zhang, Hanqi Li, Lu Chen +7
Retrosynthetic planning is a cornerstone of organic synthesis and drug discovery. Yet existing AI methods often rely on pattern matching rather than transferable chemical reasoning…