3 papers
cs.LG2025
Graph-structured Small Molecule Drug Discovery Through Deep Learning: Progress, Challenges, and Opportunities
Kun Li, Yida Xiong, Hongzhi Zhang +4
Due to their excellent drug-like and pharmacokinetic properties, small molecule drugs are widely used to treat various diseases, making them a critical component of drug discovery.…
q-bio.BM2025
Fragment-Masked Diffusion for Molecular Optimization
Kun Li, Xiantao Cai, Jia Wu +4
Molecular optimization is a crucial aspect of drug discovery, aimed at refining molecular structures to enhance drug efficacy and minimize side effects, ultimately accelerating the…
cs.CV2025
3D Human Interaction Generation: A Survey
Siyuan Fan, Wenke Huang, Xiantao Cai +1
3D human interaction generation has emerged as a key research area, focusing on producing dynamic and contextually relevant interactions between humans and various interactive enti…