Literature DB >> 15814243

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

Stephen G Machatha1, Samuel H Yalkowsky.   

Abstract

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 K(ow).

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Year:  2005        PMID： 15814243     DOI： 10.1016/j.ijpharm.2005.01.023

Source DB:  PubMed          Journal:  Int J Pharm        ISSN： 0378-5173            Impact factor:   5.875


  15 in total

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