Machine learning with physicochemical relationships: solubility prediction in organic solvents and water

Accurate prediction of solubility represents a challenge for traditional computational approaches due to the complex nature of phenomena involved. Here the authors report a successful approach to solubility prediction in organic solvents and water using combination of machine learning and computatio...

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Autores principales: Samuel Boobier, David R. J. Hose, A. John Blacker, Bao N. Nguyen
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2020
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Acceso en línea:https://doaj.org/article/84cf9b720ddc4f8cb842ae7b8aa0604f
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