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...

Descripción completa

Detalles Bibliográficos
Autores principales: 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: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8179233/
https://www.ncbi.nlm.nih.gov/pubmed/34163930
http://dx.doi.org/10.1039/d0sc04263c

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8179233/
https://www.ncbi.nlm.nih.gov/pubmed/34163930
http://dx.doi.org/10.1039/d0sc04263c

Ejemplares similares