Journal
CHEMMEDCHEM
Volume 15, Issue 19, Pages 1776-1782Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/cmdc.202000524
Keywords
lead generation; molecular diversity; reaction toolkit
Categories
Funding
- EPSRC [EP/N025652/1]
- Rosalind Franklin Institute
- EPSRC
- Rosalind Franklin Institute EPSRC grant [EP/V011367/1]
- EPSRC [EP/N025652/1, EP/V011367/1] Funding Source: UKRI
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Activity-directed synthesis (ADS) is a structure-blind, functional-driven molecular discovery approach. In this Concept, four case studies highlight the general applicability of ADS and showcase its flexibility to support different medicinal chemistry strategies. ADS deliberately harnesses reactions with multiple possible outcomes, and allows many chemotypes to be evaluated in parallel. Resources are focused on bioactive molecules, which emerge in tandem with associated synthetic routes. Some of the future challenges for ADS are highlighted, including the realisation of an autonomous molecular discovery platform. The prospects for ADS to become a mainstream lead generation approach are discussed.
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