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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★ 1 cited
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…