Quantitative structure-activity analysis of the algae toxicity of nitroaromatic compounds.

@article{Schmitt2000QuantitativeSA,
  title={Quantitative structure-activity analysis of the algae toxicity of nitroaromatic compounds.},
  author={Heike Schmitt and Rolf Altenburger and Bernd Jastorff and Gerrit Sch{\"u}{\"u}rmann},
  journal={Chemical research in toxicology},
  year={2000},
  volume={13 6},
  pages={441-50}
}
Proliferation toxicity toward the algae Scenedesmus vacuolatus in a 24 h one-generation reproduction assay was determined for nitrobenzene and 18 derivatives, including two phenols. The resultant EC(50) values covering more than 4 orders of magnitude were subjected to a quantitative structure-activity analysis (QSAR) using hydrophobicity in terms of the octanol/water partition coefficient in logarithmic form, log K(ow), and 16 quantum chemical descriptors of molecular reactivity that were… CONTINUE READING

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