The Future of Retrosynthesis and Synthetic Planning: Algorithmic, Humanistic or the Interplay?

Craig M Williams,Madeleine A Dallaston

doi:10.1071/ch20371

Abstract

The practice of deploying and teaching retrosynthesis is on the cusp of considerable change, which in turn forces practitioners and educators to contemplate whether this impending change will advance or erode the efficiency and elegance of organic synthesis in the future. A short treatise is presented herein that covers the concept of retrosynthesis, along with exemplified methods and theories, and an attempt to comprehend the impact of artificial intelligence in an era when freely and commercially available retrosynthetic and forward synthesis planning programs are increasingly prevalent. Will the computer ever compete with human retrosynthetic design and the art of organic synthesis?

Highlights

IntroductionRetrosynthesis (or retrosynthetic analysis or antithetic analysis) is defined as ‘a problem-solving technique for transforming the structure of a synthetic target molecule to a sequence of progressively simpler structures along a pathway which leads to simple or commercially available starting materials for a chemical synthesis’.[1]
Retrosynthesis is defined as ‘a problem-solving technique for transforming the structure of a synthetic target molecule to a sequence of progressively simpler structures along a pathway which leads to simple or commercially available starting materials for a chemical synthesis’.[1]
Professor Williams has held an academic position at the University of Queensland since 2000, and during this time has won a number of awards including a Thieme Chemistry Journals Award in 2007, an Australian Research Council Future Fellowship award in 2011, and the Award for Outstanding Contribution to Research (SCMB, UQ, 2019)

Summary

Introduction

Retrosynthesis (or retrosynthetic analysis or antithetic analysis) is defined as ‘a problem-solving technique for transforming the structure of a synthetic target molecule to a sequence of progressively simpler structures along a pathway which leads to simple or commercially available starting materials for a chemical synthesis’.[1]. Williams (C.M.W.) was born in Adelaide, Australia. He undertook post-doctoral studies as an Alexander von Humboldt Fellow working with Professor Armin de Meijere at the Georg-August-Universitat, Gottingen, Germany, from 1997 to 1999. In early 1999, he accepted a second post-doctoral fellowship at the Australian National University with Professor Lewis N. Professor Williams has held an academic position at the University of Queensland since 2000, and during this time has won a number of awards including a Thieme Chemistry Journals Award in 2007, an Australian Research Council Future Fellowship award in 2011, and the Award for Outstanding Contribution to Research (SCMB, UQ, 2019). Professor Williams especially enjoys teaching whole molecule retrosynthesis to undergraduate and post-graduate students

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Discussion

Conclusion