Digitization of Organic Synthesis — How Synthetic Organic Chemists Use AI Technology —
Seijiro Matsubara
Abstract
The core technologies of fully automated organic synthesis include the management of large amounts of accumulated reaction examples, machine learning based on these experimental results, and subsequent development of synthesis devices. Digitization of organic synthesis is key in progressing towards full automation. Various attempts at digitization are already enabling the development of a framework, in which the input of a molecular structure is converted into actual molecular synthesis. The core technologies of fully automated organic synthesis include the management of large amounts of accumulated reaction examples, machine learning based on these experimental results, and subsequent development of synthesis devices. Digitization of organic synthesis is key in progressing towards full automation. Various attempts at digitization are already enabling the development of a framework, in which the input of a molecular structure is converted into actual molecular synthesis.