title: Drug Discovery Gets a Boost from Data Science.
abstract: In this issue of Structure, Schiebel et al. (2016) describe a workflow-driven approach to high-throughput X-ray crystallographic fragment screening and refinement. In doing so, they extend the applicability of X-ray crystallography as a primary fragment-screening tool and show how data science techniques can favorably impact drug discovery efforts.
authors.affiliation: Department of Chemistry and Biochemistry, University of California, San Diego, La Jolla, CA 92093, USA. Electronic address: ramaro@ucsd.edu.
authors.forename: Rommie E
authors.initials: RE
authors.lastname: Amaro
mesh_terms: D018360:Crystallography, X-Ray; D055808:Drug Discovery; D057188:Workflow