Variable selection and specification of robust QSAR models from multicollinear data: arylpiperazinyl derivatives with affinity and selectivity for α2-adrenoceptors

@article{Salt2004VariableSA,
  title={Variable selection and specification of robust QSAR models from multicollinear data: arylpiperazinyl derivatives with affinity and selectivity for α2-adrenoceptors},
  author={David W. Salt and Laura Maccari and Maurizio Botta and Martyn G. Ford},
  journal={Journal of computer-aided molecular design},
  year={2004},
  volume={18 7-9},
  pages={495-509}
}
Two QSAR models have been identified that predict the affinity and selectivity of arylpiperazinyl derivatives for alpha1 and alpha2 adrenoceptors (ARs). The models have been specified and validated using 108 compounds whose structures and inhibition constants (Ki) are available in the literature [Barbaro et al., J. Med. Chem., 44 (2001) 2118; Betti et al., J. Med. Chem., 45 (2002) 3603; Barbaro et al., Bioorg. Med. Chem., 10 (2002) 361; Betti et al., J. Med. Chem., 46 (2003) 3555]. One hundred… CONTINUE READING

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