Showing cs.LGShow all
2 papers · 1 filter
cs.LG2025
Reasoning-Enhanced Large Language Models for Molecular Property Prediction
Jiaxi Zhuang, Yaorui Shi, Jue Hou +8
Molecular property prediction is crucial for drug discovery and materials science, yet existing approaches suffer from limited interpretability, poor cross-task generalization, and…
cs.LG2025
Attending on Multilevel Structure of Proteins enables Accurate Prediction of Cold-Start Drug-Target Interactions
Ziying Zhang, Yaqing Wang, Yuxuan Sun +2
Cold-start drug-target interaction (DTI) prediction focuses on interaction between novel drugs and proteins. Previous methods typically learn transferable interaction patterns betw…