REVIEW

Transforming organic chemistry research paradigms: Moving from manual efforts to the intersection of automation and artificial intelligence

¹ School of Materials Science and Engineering, Peking University, Beijing 100871, China
² Ningbo Institute of Digital Twin, Eastern Institute of Technology, Ningbo 315000, China
³ AI for Science (AI4S)-Preferred Program, Peking University Shenzhen Graduate School, Shenzhen 518055, China

^* Corresponding authors (emails: ychen@eias.ac.cn (Yuntian Chen); fmo@pku.edu.cn (Fanyang Mo))

Received: 21 June 2023
Revised: 30 October 2023
Accepted: 31 October 2023

Abstract

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.