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Quantitative Prediction of Solvation Free Energy in Octanol of Organic Compounds
The free energy of solvation, [Formula: see text] , in octanol of organic compunds is quantitatively predicted from the molecular structure. The model, involving only three molecular descriptors, is obtained by multiple linear regression analysis from a data set of 147 compounds containing diverse o...
| Autores principales: | , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
Molecular Diversity Preservation International (MDPI)
2009
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2672017/ https://www.ncbi.nlm.nih.gov/pubmed/19399236 http://dx.doi.org/10.3390/ijms10031031 |