Issue 36, 2017

Will they co-crystallize?


A 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.

Graphical abstract: Will they co-crystallize?

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Article information

Article type
27 Mar 2017
05 Jul 2017
First published
05 Jul 2017
This article is Open Access
Creative Commons BY license

CrystEngComm, 2017,19, 5336-5340

Will they co-crystallize?

J. G. P. Wicker, L. M. Crowley, O. Robshaw, E. J. Little, S. P. Stokes, R. I. Cooper and S. E. Lawrence, CrystEngComm, 2017, 19, 5336 DOI: 10.1039/C7CE00587C

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