CSP Blind Tests | CCDC (original) (raw)

Sixth CSP Blind Test - 2015

The sixth blind test ended in August 2015 and was the biggest to date, with 25 different submissions and over 90 researchers involved. The five target systems were a small relatively rigid molecule, a former drug candidate, with five known but unpublished polymorphs, a salt hydrate, a co-crystal, and the largest molecule in a blind test to date. All of the target systems were predicted, apart from a single _Z_’ = 2 polymorph of the drug candidate. Overall, the results are encouraging for the development and maturity of CSP methods, which are now applicable to larger molecules and more complex solid forms such as hydrates and salts.

The full results of the sixth blind test are published in a special issue of Acta Cryst. B.

Target XXIV in the six blind test of organic CSP methods, which is a chloride salt hydrate of (Z)-3-((diaminomethyl)thio)acrylic acid.

Report on the sixth blind test of organic crystal structure prediction methods. A.M. Reilly et al. Acta Cryst. B72, 439-459, 2016