AI RESEARCH
ToolMol: Evolutionary Agentic Framework for Multi-objective Drug Discovery
arXiv CS.LG
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ArXi:2605.12784v1 Announce Type: new Advances in large language models (LLMs) have recently opened new and promising avenues for small-molecule drug discovery. Yet existing LLM-based approaches for molecular generation often suffer from high rates of invalid and low-quality ligand candidates, a result of the syntactic limitations of current models with regard to molecular strings. In this paper, we