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ADME prediction with KNIME: In silico aqueous solubility consensus model based on supervised recursive random forest approaches

In-silico prediction of aqueous solubility plays an important role during the drug discovery and development processes. For many years, the limited performance of in-silico solubility models has been attributed to the lack of high-quality solubility data for pharmaceutical molecules. However, some s...

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Detalles Bibliográficos
Autores principales: Falcón-Cano, Gabriela, Molina, Christophe, Cabrera-Pérez, Miguel Ángel
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Association of Physical Chemists 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8915604/
https://www.ncbi.nlm.nih.gov/pubmed/35300309
http://dx.doi.org/10.5599/admet.852