Showing cs.LGShow all
2 papers · 1 filter
cs.LG2025
De Novo Generation of Hit-like Molecules from Gene Expression Profiles via Deep Learning
Chen Li, Yoshihiro Yamanishi
De novo generation of hit-like molecules is a challenging task in the drug discovery process. Most methods in previous studies learn the semantics and syntax of molecular structure…
cs.LG2025
A Reinforcement Learning-Driven Transformer GAN for Molecular Generation
Chen Li, Huidong Tang, Ye Zhu +1
Generating molecules with desired chemical properties presents a critical challenge in fields such as chemical synthesis and drug discovery. Recent advancements in artificial intel…