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

• Principais autores: Gabriela Falcón-Cano (Autor), Christophe Molina (Autor), Miguel Angel Cabrera-Pérez (Autor)
• Formato: Livro
• Publicado em: International Association of Physical Chemists (IAPC), 2020-08-01T00:00:00Z.
• Assuntos: article
• Acesso em linha: Connect to this object online.

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...