2 papers
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…