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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 predict dru...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Association of Physical Chemists
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8920098/ https://www.ncbi.nlm.nih.gov/pubmed/35300359 http://dx.doi.org/10.5599/admet.979 |