Schultz, T.W.; Riggin, G.W. Predictive correlations for the toxicity of alkyl- and halogen-substituted phenols. Toxicol. Lett. 1985, 25, 1, 47–54.

QDB archive DOI: 10.15152/QDB.28 DOWNLOAD

QsarDB content

Regression model (regression)

Name	Type	n	R2	σ
Training	training	20	0.938	0.193

Regression model (regression)

Name	Type	n	R2	σ
Training	training	8	0.904	0.134

Regression model (regression)

Name	Type	n	R2	σ
Training	training	12	0.990	0.069

When using this QDB archive, please cite (see details) it together with the original article:

Ruusmann, V. Data for: Predictive correlations for the toxicity of alkyl- and halogen-substituted phenols. QsarDB repository, QDB.28. 2012. https://doi.org/10.15152/QDB.28
Schultz, T. W.; Riggin, G. W. Predictive correlations for the toxicity of alkyl- and halogen-substituted phenols. Toxicol. Lett. 1985, 25, 47–54. https://doi.org/10.1016/0378-4274(85)90099-2

Title:	Schultz, T.W.; Riggin, G.W. Predictive correlations for the toxicity of alkyl- and halogen-substituted phenols. Toxicol. Lett. 1985, 25, 1, 47–54.
Abstract:	The structure-activity relationships between toxicity (log BR), monitored as cell population growth, and the log 1-octanol/water partition coefficient (log Kow) for a series of 20 alkyl- and halogen-substituted phenols have been examined. The equation log BR = 0.9455 log Kow -1.9190 has been found to be an excellent linear model for these compounds. It explains 93.8% of the variability in toxicity. Subdivision of the tested derivatives based on substituent field electronic effects reveals that those with electron-releasing effects, e.g. methyl or ethyl groups, are slightly less toxic than those with electron-withdrawing effects, e.g. halogen groups.
URI:	http://hdl.handle.net/10967/28 http://dx.doi.org/10.15152/QDB.28
Date:	2012-05-23