QSAR prediction of toxicity of nitrobenzenes.

  title={QSAR prediction of toxicity of nitrobenzenes.},
  author={Vijay K. Agrawal and Padmakar V. Khadikar},
  journal={Bioorganic & medicinal chemistry},
  volume={9 11},
A QSAR analysis has been carried out on the toxicities of 40 mono-substituted nitrobenzenes using recently introduced PI and Sz indices, as well as older molecular redundancy (MRI) and Balaban indices (J). The results have shown that no statistically significant mono-parametric QSAR models are possible. Also, that along with PI, Sz, MRI and J indices are the appropriate parameters to be used in developing multiparametric QSAR models. The toxicities of nitrobenzenes are well predicted by a penta… CONTINUE READING

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