Schultz, T.W.; Moulton, B.A. Structure-activity relationships for nitrogen-containing aromatic molecules. Environ. Toxicol. Chem. 1985, 4, 3, 353–359.

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Schultz, T.W.; Moulton, B.A. Structure-activity relationships for nitrogen-containing aromatic molecules. Environ. Toxicol. Chem. 1985, 4, 3, 353–359.

QDB archive DOI: 10.15152/QDB.44   DOWNLOAD

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Property IGC50: 60-h Tetrahymena toxicity as IGC50 [mmol/L]

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

1: All compounds

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dc.date.accessioned2012-05-23T15:50:43Z
dc.date.available2012-05-23T15:50:43Z
dc.date.issued2012-05-23
dc.identifier.urihttp://hdl.handle.net/10967/44
dc.identifier.urihttp://dx.doi.org/10.15152/QDB.44
dc.description.abstractTwenty-four nitrogen-containing aromatic molecules, mono- and dicyclic homologs from each of 12 different analog sets, were studied to determine their relative acute static toxicities, monitored as population growth impairment to the ciliate Tetrahymena pyriformis. Quantitative structure-activity correlations between the molecular descriptors log l-octanol/water partition coefficient (log Kow) and log toxicity are reported. Using the complete data set the descriptor does not provide an adequate model for predictability. A scatter plot of log Kow versus log toxicity suggests two parallel linear correlations: one consisting of the more complex multiple H-polar nitrogen-containing compounds and the other with the single H-polar and in-ring substituted nitrogen-containing compounds.
dc.publisherVillu Ruusmann
dc.rightsAttribution 4.0 International
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/
dc.titleSchultz, T.W.; Moulton, B.A. Structure-activity relationships for nitrogen-containing aromatic molecules. Environ. Toxicol. Chem. 1985, 4, 3, 353–359.
qdb.property.endpoint6. Other (Acute toxicity to ciliate protozoa)
qdb.property.speciesTetrahymena pyriformis
bibtex.entryarticle
bibtex.entry.authorSchultz, T. W.
bibtex.entry.authorMoulton, B. A.
bibtex.entry.doi10.1002/etc.5620040310
bibtex.entry.journalEnviron. Toxicol. Chem.
bibtex.entry.number3
bibtex.entry.pages353–359
bibtex.entry.titleStructure-activity relationships for nitrogen-containing aromatic molecules
bibtex.entry.volume4
bibtex.entry.year1985
qdb.model.typeRegression model (regression)


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