9 citations · 15 across the 5 of their papers we have counts for
5 papers
Making AI Scientists Auditable from Evidence to Claim
Zijian Wang, Hanqi Li, Ziyue Yang +17
AI research systems can report improved results without establishing that the tested implementation matches the method described in their conclusions. We introduce Xcientist, a res…
DiffNMR: Diffusion Models for Nuclear Magnetic Resonance Spectra Elucidation
Qingsong Yang, Binglan Wu, Xuwei Liu +5
Nuclear Magnetic Resonance (NMR) spectroscopy is a central characterization method for molecular structure elucidation, yet interpreting NMR spectra to deduce molecular structures…
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…
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…
ChemDFM-X: Towards Large Multimodal Model for Chemistry
Zihan Zhao, Bo Chen, Jingpiao Li +10
Rapid developments of AI tools are expected to offer unprecedented assistance to the research of natural science including chemistry. However, neither existing unimodal task-specif…