4 papers
Text-Augmented Multimodal LLMs for Chemical Reaction Condition Recommendation
Yu Zhang, Ruijie Yu, Kaipeng Zeng +5
Identifying reaction conditions that are broadly applicable across diverse substrates is a longstanding challenge in chemical and pharmaceutical research. While many methods are av…
ChemActor: Enhancing Automated Extraction of Chemical Synthesis Actions with LLM-Generated Data
Yu Zhang, Ruijie Yu, Jidong Tian +5
With the increasing interest in robotic synthesis in the context of organic chemistry, the automated extraction of chemical procedures from literature is critical. However, this ta…
Large Language Models to Accelerate Organic Chemistry Synthesis
Yu Zhang, Yang Han, Shuai Chen +10
Chemical synthesis, as a foundational methodology in the creation of transformative molecules, exerts substantial influence across diverse sectors from life sciences to materials a…
Learning Chemical Reaction Representation with Reactant-Product Alignment
Kaipeng Zeng, Xianbin Liu, Yu Zhang +3
Organic synthesis stands as a cornerstone of the chemical industry. The development of robust machine learning models to support tasks associated with organic reactions is of signi…