ADME prediction with KNIME: A retrospective contribution to the second "Solubility Challenge"

Computational models for predicting aqueous solubility from the molecular structure represent a promising strategy from the perspective of drug design and discovery. Since the first "Solubility Challenge", these initiatives have marked the state-of-art of the modelling algorithms used to p...

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Bibliographic Details
Main Authors: Gabriela Falcón-Cano (Author), Christophe Molina (Author), Miguel Angel Cabrera-Pérez (Author)
Format: Book
Published: International Association of Physical Chemists (IAPC), 2021-07-01T00:00:00Z.
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