有機化学研究のパラダイム転換：手作業から自動化とAIの融合へ
Transforming organic chemistry research paradigms: moving from manual efforts to the intersection of automation and artificial intelligence
有機化学研究が人手による実験から自動化ロボットとAIの協働へと移行する動きを概観し、合成計画や複雑な分子合成への影響、機会と課題を論じたレビュー。
著者: Chengchun Liu, Yuntian Chen, Fanyang Mo
分類: cs.AI, cs.LG, cs.RO
原文アブストラクト
Organic chemistry is undergoing a major paradigm shift, moving from a labor-intensive approach to a new era dominated by automation and artificial intelligence (AI). This transformative shift is being driven by technological advances, the ever-increasing demand for greater research efficiency and accuracy, and the burgeoning growth of interdisciplinary research. AI models, supported by computational power and algorithms, are drastically reshaping synthetic planning and introducing groundbreaking ways to tackle complex molecular synthesis. In addition, autonomous robotic systems are rapidly accelerating the pace of discovery by performing tedious tasks with unprecedented speed and precision. This article examines the multiple opportunities and challenges presented by this paradigm shift and explores its far-reaching implications. It provides valuable insights into the future trajectory of organic chemistry research, which is increasingly defined by the synergistic interaction of automation and AI.