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Will they co-crystallize?
- 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