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Mechanistically transparent models for predicting aqueous solubility of rigid, slightly flexible, and very flexible drugs (MW<2000) Accuracy near that of random forest regression
Yalkowsky’s General Solubility Equation (GSE), with its three fixed constants, is popular and easy to apply, but is not very accurate for polar, zwitterionic, or flexible molecules. This review examines the findings of a series of studies, where we have sought to come up with a better prediction mod...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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International Association of Physical Chemists
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10567068/ https://www.ncbi.nlm.nih.gov/pubmed/37829322 http://dx.doi.org/10.5599/admet.1879 |