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Cajina-Quezada, M.; Schultz, T.W. Structure-toxicity relationships for selected weak acid respiratory uncouplers. Aquat. Toxicol. 1990, 17, 3, 239–252.

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Cajina-Quezada, M.; Schultz, T.W. Structure-toxicity relationships for selected weak acid respiratory uncouplers. Aquat. Toxicol. 1990, 17, 3, 239–252.

QDB archive DOI: 10.15152/QDB.27   DOWNLOAD

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Property pIGC50: 48-h Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]

1: All chemicals

Regression model (regression)

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Name Type n

R2

σ

Training training 27 0.883 0.198
Validation external validation 3 0.672 0.761

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dc.date.accessioned 2012-05-23T15:41:14Z
dc.date.available 2012-05-23T15:41:14Z
dc.date.issued 2012-05-23
dc.identifier.uri http://hdl.handle.net/10967/27
dc.identifier.uri http://dx.doi.org/10.15152/QDB.27
dc.description.abstract The relative biological response (log BR) for each of 30 select substituted phenols and anilines was evaluated using the 48-h Tetrahymena pyriformis population growth test system. Simple linear regression analysis of log BR versus log Kow (1-octanol/water partition coefficient) was used to formulate a quantitative structure-activity relationship (QSAR). The equation, log BR = 0.438 (log Kow) + 0.157; n = 27, r2 = 0.933, s = 0.151, f = 348.02, is a highly predictive model. An evaluation of data on fathead minnow mortality for these same compounds shows a similar QSAR, log LC50 = -0.590 (log Kow) - 3.247; n = 11, r2 = 0.917, s = 0.287, f = 99.04. These relationships are the respective QSARs for the respiratory uncoupling mechanism of action of selected weak acids. Moreover, the toxic response in the two systems are highly correlated (r2 = 0.915).
dc.publisher Villu Ruusmann
dc.rights Attribution 4.0 International
dc.rights.uri http://creativecommons.org/licenses/by/4.0/
dc.title Cajina-Quezada, M.; Schultz, T.W. Structure-toxicity relationships for selected weak acid respiratory uncouplers. Aquat. Toxicol. 1990, 17, 3, 239–252.
qdb.property.endpoint 6. Other (Acute toxicity to ciliate protozoa)
qdb.property.species Tetrahymena pyriformis
qdb.descriptor.application MedChem 3.34
bibtex.entry article
bibtex.entry.author Cajina-Quezada, M.
bibtex.entry.author Schultz, T. W.
bibtex.entry.doi 10.1016/0166-445X(90)90066-X
bibtex.entry.journal Aquat. Toxicol.
bibtex.entry.number 3
bibtex.entry.pages 239–252
bibtex.entry.title Structure-toxicity relationships for selected weak acid respiratory uncouplers
bibtex.entry.volume 17
bibtex.entry.year 1990
qdb.model.type Regression model (regression)


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