Will they co-crystallize?

Cooper RI, Lawrence, Wicker JGP, Crowley LM, Robshaw O, Little E, Stokes SP

LawrencebA data-driven approach to predicting co-crystal formation reduces the number of experiments required to successfully produce new co-crystals. A machine learning algorithm trained on an in-house set of co-crystallization experiments results in a 2.6-fold enrichment of successful co-crystal formation in a ranked list of co-formers, using an unseen set of paracetamol test experiments.