Journal
GREEN CHEMISTRY
Volume 15, Issue 8, Pages 2283-2293Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c3gc40694f
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Funding
- Spanish MINECO [CTQ2011-28124-C02-01]
- European Social Fund (ESF)
- Gobierno de Aragon (Grupo Consolidado) [E11]
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Quantitative structure-properties relationships (QSPR) models have been developed for three characteristic properties of a series of 62 new glycerol derivatives, relevant to solvent classification and substitution uses. Using structural descriptor variables, three equations have been found using multiple linear regression analysis, which can be applied for in silico prediction of physico-chemical properties, allowing a faster selection of target solvents for a given application.
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