Cargando…
The SAMPL6 challenge on predicting octanol–water partition coefficients from EC-RISM theory
Results are reported for octanol–water partition coefficients (log P) of the neutral states of drug-like molecules provided during the SAMPL6 (Statistical Assessment of Modeling of Proteins and Ligands) blind prediction challenge from applying the “embedded cluster reference interaction site model”...
| Autores principales: | , , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2020
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7125249/ https://www.ncbi.nlm.nih.gov/pubmed/31981015 http://dx.doi.org/10.1007/s10822-020-00283-4 |