MFG: Multi-turn Feedback Guided Molecular Optimization

arXiv:2610.18851v1 Announce Type: new Abstract: Multi-objective molecular optimization is a critical process in drug discovery that aims to modify a given molecule to simultaneously improve multiple properties while maintaining a similar overall structure. This process often requires iterative modifications guided by computational or experimental feedback. Recent large language model (LLM)-based methods have begun to explore this iterative approach; however, these methods are not explicitly trained to leverage such feedback, while existing approaches primarily focus on single-turn molecular op

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