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Pushing the limits of solubility prediction via quality-oriented data selection

Accurate prediction of the solubility of chemical substances in solvents remains a challenge. The sparsity of high-quality solubility data is recognized as the biggest hurdle in the development of robust data-driven methods for practical use. Nonetheless, the effects of the quality and quantity of d...

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Detalles Bibliográficos
Autores principales: Sorkun, Murat Cihan, Koelman, J.M. Vianney A., Er, Süleyman
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7788089/
https://www.ncbi.nlm.nih.gov/pubmed/33437941
http://dx.doi.org/10.1016/j.isci.2020.101961