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cs.AI2026
Agents on a Tree: Pathwise Coordination for Multi-Objective Molecular Optimization
Jia Zhang, Tengfei Ma, Tianle Li +3
Multi-objective molecular optimization requires searching vast chemical spaces under conflicting objectives, where early design decisions strongly constrain downstream outcomes. Ex…
cs.AI2024
Learning to Denoise Biomedical Knowledge Graph for Robust Molecular Interaction Prediction
Tengfei Ma, Yujie Chen, Wen Tao +9
Molecular interaction prediction plays a crucial role in forecasting unknown interactions between molecules, such as drug-target interaction (DTI) and drug-drug interaction (DDI),…
cs.AI2024
Y-Mol: A Multiscale Biomedical Knowledge-Guided Large Language Model for Drug Development
Tengfei Ma, Xuan Lin, Tianle Li +8
Large Language Models (LLMs) have recently demonstrated remarkable performance in general tasks across various fields. However, their effectiveness within specific domains such as…