Sixth blind test of organic crystal-structure prediction methods

Acta Crystallogr B Struct Sci Cryst Eng Mater. 2014 Aug;70(Pt 4):776-7. doi: 10.1107/S2052520614015923. Epub 2014 Jul 31.

Abstract

Over the past 15 years progress in predicting crystal structures of small organic molecules has been charted by a series of blind tests hosted by the Cambridge Crystallographic Data Centre. This letter announces a sixth blind test to take place between September 2014 and August 2015, giving details of the target systems and the revised procedure. We hope that as many methods as possible will be assessed and benchmarked in this new blind test.

Keywords: Cambridge Crystallographic Data Centre; blind test; crystal-structure prediction.

Publication types

  • Letter