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Automated reaction optimisation in continuous flow

corresponding

RICARDO LABES* RICHARD A. BOURNE, THOMAS W. CHAMBERLAIN
*Corresponding author
Institute of Process Research and Development – iPRD, School of Chemistry & School of Chemical and Process Engineering, University of Leeds, United Kingdom

Abstract

This article highlights some of the recent advances in the area of optimising chemical synthesis. We explore how continuous flow chemistry, coupled with automation and optimisation techniques, can constitute a powerful tool that enables searches in larger chemical spaces and can assist delivering better methods faster. The combination of methods like Design of Experiment and local and global optimisation algorithms, such as SIMPLEX and Bayesian approaches, can further enhance the information gathered while optimising a method. Coupling these methods with intelligent, cloud based, automated platforms, enables a holistic approach to optimising chemical synthesis that combines chemistry, engineering and informatics.


INTRODUCTION

Synthetic organic chemistry underpins many scientific areas and what is possible has evolved far beyond the wildest dreams of previous generations of researchers in recent years. However, in order to continue this expansion in scope, it is fundamental that it embraces new technologies in a truly multidisciplinary way. We believe continuous flow automated optimisation platforms are a vital tool in this regard and have far reaching implications to the field moving forward.

The discovery of new reactivities and development of new synthetic methods drives a large portion of research in chemistry. As these advances often happen in narrow chemical spaces it is paramount that new technologies are employed to assist chemists in exploring new frontiers and make it is possible to conduct method optimisation in the best, safest and fastest manner possible.

In this paper we share some highlights and perspectives into automated optimisation in continuous flow platforms, often referred to as self-optimising systems.

CONTINUOUS FLOW CHEMISTRY AND AUTOMATION

In the last two decades ...




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