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Evaluation of log P, pK(a), and log D predictions from the SAMPL7 blind challenge
The Statistical Assessment of Modeling of Proteins and Ligands (SAMPL) challenges focuses the computational modeling community on areas in need of improvement for rational drug design. The SAMPL7 physical property challenge dealt with prediction of octanol-water partition coefficients and pK(a) for...
| Autores principales: | , , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8224998/ https://www.ncbi.nlm.nih.gov/pubmed/34169394 http://dx.doi.org/10.1007/s10822-021-00397-3 |