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Machine learning in crystallography and structural science.

Simon J L BillingeThomas E Proffen
Published in: Acta crystallographica. Section A, Foundations and advances (2024)
An overview of the virtual collection on machine learning (ML) in crystallography and structural science, as represented in Acta Crystallographica Sections A, B and D, IUCrJ and Journal of Synchrotron Radiation, is presented. Some terms and concepts related to artificial intelligence and machine learning are briefly introduced and described, and a short history of ML in structural science as it appeared in these IUCr journals is given to whet the appetite for the rest of the collection.
Keyphrases
  • machine learning
  • artificial intelligence
  • big data
  • public health
  • deep learning
  • weight loss
  • randomized controlled trial
  • systematic review
  • drug induced