May 8, 2024, 4:42 a.m. | Jinghai He, Cheng Hua, Yingfei Wang, Zeyu Zheng

cs.LG updates on arXiv.org arxiv.org

arXiv:2405.03942v1 Announce Type: cross
Abstract: Drug discovery is a complex process that involves sequentially screening and examining a vast array of molecules to identify those with the target properties. This process, also referred to as sequential experimentation, faces challenges due to the vast search space, the rarity of target molecules, and constraints imposed by limited data and experimental budgets. To address these challenges, we introduce a human-in-the-loop framework for sequential experiments in drug discovery. This collaborative approach combines human expert …

abstract array arxiv challenges collaborative cs.ai cs.hc cs.lg discovery drug discovery experimentation framework human identify intelligence loop molecules process screening search space type vast

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