Acute toxicity of halogenated phenols: Combining DFT and QSAR studies

@inproceedings{Ousaa2014AcuteTO,
  title={Acute toxicity of halogenated phenols: Combining DFT and QSAR studies},
  author={Abdellah Ousaa and B. Elidrissi and Mounir Ghamali and Samir Chtita and Mohammed Bouachrine and Tahar Lakhlifi},
  year={2014}
}
In order to investigate the relationship between ac tivities and structures, a 3D-QSAR study is applied to a set of 43 halogenated phenols compounds. This study was condu cted using the principal component analysis (PCA) m ethod, the multiple linear regression method (MLR), the no n-linear regression (RNLM) and the artificial neura l network (ANN). We accordingly propose a quantitative model, and we interpret the activity of the compounds rel ying on the multivariate statistical analysis… CONTINUE READING

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