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Need to make a molecule? Ask this AI for instructions

Artificial-intelligence tool that has digested nearly every reaction ever performed could transform chemistry.
  1. Holly Else
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Chemists have a new lab assistant: artificial intelligence. Researchers have developed a ‘deep learning’ computer program that produces blueprints for the sequences of reactions needed to create small organic molecules, such as drug compounds. The pathways that the tool suggests look just as good on paper as those devised by human chemists.

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doi: https://doi.org/10.1038/d41586-018-03977-w

Read the related News & Views article: ‘AI designs organic syntheses’

References

  1. Segler, M. H. S., Preuss, M. & Waller, M. P. Nature 555, 604–610 (2018).

    Article  Google Scholar 

  2. Klucznik, T. et al. Chem 4, 522–532 (2018).

    Article  CAS  Google Scholar 

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