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BIBTEX RIS

Comparison of the octanol/water partition coefficients calculated by ClogP®, ACDlogP and KowWin® to experimentally determined values

2005; Elsevier BV; Volume: 294; Issue: 1-2 Linguagem: Inglês

10.1016/j.ijpharm.2005.01.023

ISSN

1873-3476

Autores

Stephen G. Machatha, Samuel H. Yalkowsky,

Tópico(s)

Surfactants and Colloidal Systems

Resumo

The experimental octanol/water partition coefficient data, of 108 compounds from the data set [Rytting, E., Lentz, K.A., Chen, X., Qian, F., Venkatesh, S., 2004. A quantitative structure–property relationship for predicting drug solubility in PEG 400/water cosolvent systems. Pharm. Res. 21, 237–244] was compared to calculated values using the computer programs ClogP®, ACD/logPdb® and KowWin®. It was found that all the three programs have a user friendly interface but ClogP® appears to be the more accurate predictor of log Kow.

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