Will it crystallise? Predicting crystallinity of molecular materials (J.G.P. Wicker and R.I. Cooper)
Nov 042014
CrystEngComm (2015) 17, 1927-1934 [ doi:10.1039/C4CE01912A ]
Machine learning algorithms can be used to create models which separate molecular materials which will form good-quality crystals from those that will not, and predict how synthetic modifications will change the crystallinity.
Chemistry World Article: Will It Crystallise
Publisher’s copy