Leveraging GPT-4 to transform chemistry from paper to practice

Abstract

Large Language Models (LLMs) have revolutionized numerous industries as well as accelerated scientific research. However, their application in planning and conducting experimental science, has been limited. In this study, we introduce an adaptable prompt-set with GPT-4, converting literature experimental procedures into actionable experimental steps for a Mettler Toledo EasyMax automated laboratory reactor. Through prompt engineering, we developed a 2-step sequential prompt: the first prompt converts literature synthesis procedures into step-by-step instructions for reaction planning; the second prompt generates an XML script to communicate these instructions to the EasyMax reactor, automating experimental design and execution. We successfully automated the reproduction of three distinct literature-based synthetic procedures and validated the reactions by monitoring and characterizing the products. This approach bridges the gap between text-to-procedure transcription and automated execution, and streamlines literature procedure reproduction.