Machine learning in crystallography and structural science.
Simon J L BillingeThomas E ProffenPublished 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.