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The influence of solid state information and descriptor selection on statistical models of temperature dependent aqueous solubility

Predicting the equilibrium solubility of organic, crystalline materials at all relevant temperatures is crucial to the digital design of manufacturing unit operations in the chemical industries. The work reported in our current publication builds upon the limited number of recently published quantit...

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Detalles Bibliográficos
Autores principales: Marchese Robinson, Richard L., Roberts, Kevin J., Martin, Elaine B.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6115327/
https://www.ncbi.nlm.nih.gov/pubmed/30159699
http://dx.doi.org/10.1186/s13321-018-0298-3