3 papers
cs.AI2025
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…
physics.chem-ph2025
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…
cs.LG2025
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…