One class classification as a practical approach for accelerating π–π co-crystal discovery

The implementation of machine learning models has brought major changes in the decision-making process for materials design. One matter of concern for the data-driven approaches is the lack of negative data from unsuccessful synthetic attempts, which might generate inherently imbalanced datasets. We...

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Detalhes bibliográficos
Publicado no:Chem Sci
Main Authors: Vriza, Aikaterini, Canaj, Angelos B., Vismara, Rebecca, Kershaw Cook, Laurence J., Manning, Troy D., Gaultois, Michael W., Wood, Peter A., Kurlin, Vitaliy, Berry, Neil, Dyer, Matthew S., Rosseinsky, Matthew J.
Formato: Artigo
Idioma:Inglês
Publicado em: The Royal Society of Chemistry 2020
Assuntos:
Chemistry
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC8179233/
https://ncbi.nlm.nih.gov/pubmed/34163930
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/d0sc04263c
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