1 citations · 1 across the 1 of their papers we have counts for
5 papers
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…
A General-Purpose Framework for Chemical Reaction Representation with Atomic Correspondence and Flexible Condition Adaptation
Kaipeng Zeng, Xianbin Liu, Yu Zhang +3
Motivation: Organic synthesis is fundamental to the chemical industry, particularly in domains such as pharmaceutical development. While artificial intelligence offers powerful too…
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…
UAlign: Pushing the Limit of Template-free Retrosynthesis Prediction with Unsupervised SMILES Alignment
Kaipeng Zeng, Bo yang, Xin Zhao +5
Motivation: Retrosynthesis planning poses a formidable challenge in the organic chemical industry. Single-step retrosynthesis prediction, a crucial step in the planning process, ha…