QSPR Studies on Vapor Pressure, Aqueous Solubility, and the Prediction of Water−Air Partition Coefficients

The vapor pressures and the aqueous solubilities of 411 compounds with a large structural diversity were investigated using a quantitative structure−property relationship (QSPR) approach. A five-descriptor equation with the squared correlation coefficient (R 2) of 0.949 for vapor pressure and a six-...

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Veröffentlicht in:	Journal of Chemical Information and Computer Sciences 1998-07, Vol.38 (4), p.720-725
Hauptverfasser:	Katritzky, Alan R, Wang, Yilin, Sild, Sulev, Tamm, Tarmo, Karelson, Mati
Format:	Artikel
Sprache:	eng
Schlagworte:	Boiling points Chemical structures Computerized information storage and retrieval Quantitative structure property relationships Vapour pressures
Online-Zugang:	Volltext
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