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Hoffmann, R. A wiki for the life sciences where authorship matters. Nature Genetics (2008)
 
 
 

Correlation of the solubilities of gases and vapors in methanol and ethanol with their molecular structures.

Two four-parameter quantitative structure-property relations, with R2 = 0.95 and R2 = 0.97, respectively, gave good correlations for the solubilities of 87 gases and vapors in methanol and 61 in ethanol. All the descriptors used are derived solely from the structures of the molecules, making it possible to predict solubilities for unavailable or unknown compounds.[1]

References

  1. Correlation of the solubilities of gases and vapors in methanol and ethanol with their molecular structures. Katritzky, A.R., Tatham, D.B., Maran, U. Journal of chemical information and computer sciences. (2001) [Pubmed]
 
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