Back to Search Start Over

Will they co-crystallize?

Authors :
Wicker, Jerome G. P.
Crowley, Lorraine M.
Robshaw, Oliver
Little, Edmund J.
Stokes, Stephen P.
Cooper, Richard I.
Lawrence, Simon E.
Publication Year :
2017
Publisher :
Royal Society of Chemistry, 2017.

Abstract

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.

Details

Database :
OpenAIRE
Accession number :
edsair.dedup.wf.001..20b3f9a2b5b187ce1d39898040e9f7bc
Full Text :
https://doi.org/10.1039/c7ce00587c