TY - JOUR
T1 - Comparison of the octanol/water partition coefficients calculated by ClogP®, ACDlogP and KowWin® to experimentally determined values
AU - Machatha, Stephen G.
AU - Yalkowsky, Samuel H.
PY - 2005/4/27
Y1 - 2005/4/27
N2 - 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.
AB - 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.
KW - Calculated
KW - Comparison
KW - Octanol/water partition coefficient
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U2 - 10.1016/j.ijpharm.2005.01.023
DO - 10.1016/j.ijpharm.2005.01.023
M3 - Article
C2 - 15814243
AN - SCOPUS:16244386216
SN - 0378-5173
VL - 294
SP - 185
EP - 192
JO - International Journal of Pharmaceutics
JF - International Journal of Pharmaceutics
IS - 1-2
ER -