Toward Physics-Based Solubility Computation for Pharmaceuticals to Rival Informatics

[Image: see text] We demonstrate that physics-based calculations of intrinsic aqueous solubility can rival cheminformatics-based machine learning predictions. A proof-of-concept was developed for a physics-based approach via a sublimation thermodynamic cycle, building upon previous work that relied...

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Detalles Bibliográficos
Autores principales: Fowles, Daniel J., Palmer, David S., Guo, Rui, Price, Sarah L., Mitchell, John B. O.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8190954/
https://www.ncbi.nlm.nih.gov/pubmed/33988381
http://dx.doi.org/10.1021/acs.jctc.1c00130

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8190954/
https://www.ncbi.nlm.nih.gov/pubmed/33988381
http://dx.doi.org/10.1021/acs.jctc.1c00130

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