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

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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

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Property pIGC50: 60-h Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]

2: All phenols

Regression model (regression)

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R2

σ

Trainingtraining200.9380.193
3: Electron-rich phenols

Regression model (regression)

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NameTypen

R2

σ

Trainingtraining80.9040.134
4: Electron-deficient phenols

Regression model (regression)

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NameTypen

R2

σ

Trainingtraining120.9900.069

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dc.date.accessioned2012-05-23T15:41:48Z
dc.date.available2012-05-23T15:41:48Z
dc.date.issued2012-05-23
dc.identifier.urihttp://hdl.handle.net/10967/28
dc.identifier.urihttp://dx.doi.org/10.15152/QDB.28
dc.description.abstractThe 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.
dc.publisherVillu Ruusmann
dc.rightsAttribution 4.0 International
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/
dc.titleSchultz, T.W.; Riggin, G.W. Predictive correlations for the toxicity of alkyl- and halogen-substituted phenols. Toxicol. Lett. 1985, 25, 1, 47–54.
qdb.property.endpoint6. Other (Acute toxicity to ciliate protozoa)
qdb.property.speciesTetrahymena pyriformis
bibtex.entryarticle
bibtex.entry.authorSchultz, T. W.
bibtex.entry.authorRiggin, G. W.
bibtex.entry.doi10.1016/0378-4274(85)90099-2
bibtex.entry.journalToxicol. Lett.
bibtex.entry.number1
bibtex.entry.pages47–54
bibtex.entry.titlePredictive correlations for the toxicity of alkyl- and halogen-substituted phenols
bibtex.entry.volume25
bibtex.entry.year1985
qdb.model.typeRegression model (regression)


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