Programmable Light-Induced Carbene Generation for On Demand Chemical Synthesis: Introducing DigiChemTree

Author:

Singh Ajay1ORCID,Rana Abhilash2,Chauhan Ruchi2,Mottafegh Amirreza3,Kim Dong-Pyo4ORCID

Affiliation:

1. Indian Institute of Chemical Technology

2. CSIR-Indian Institute of Chemical Technology

3. Pohang University of Science and Technology (POSTECH), Pohang 37673, Republic of Korea

4. Pohang University of Science and Technology

Abstract

Abstract

The reproducibility of chemical reactions, when obtaining protocols from literature or databases, is highly challenging for academicians, industry professionals and even now for the machine learning process. To synthesize the organic molecule under the photochemical condition, several years for the reaction optimization, highly skilled manpower, long reaction time etc. are needed, resulting in non-affordability and slow down the research and development. Herein, we have introduced the DigiChemTree backed with the artificial intelligence to auto-optimize the photochemical reaction parameter and synthesizing the on demand library of the molecules in ultra-fast manner. Newly, auto-generated digital code was further tested for the late stage functionalization of the various active pharmaceutical ingredient.

Publisher

Springer Science and Business Media LLC

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