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Prediction of aqueous intrinsic solubility of druglike molecules using Random Forest regression trained with Wiki-pS0 database
The accurate prediction of solubility of drugs is still problematic. It was thought for a long time that shortfalls had been due the lack of high-quality solubility data from the chemical space of drugs. This study considers the quality of solubility data, particularly of ionizable drugs. A database...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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International Association of Physical Chemists
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8915599/ https://www.ncbi.nlm.nih.gov/pubmed/35299775 http://dx.doi.org/10.5599/admet.766 |