GRIND-based 3D-QSAR to predict inhibitory activity for similar enzymes, OSC and SHC.

@article{Ermondi2008GRINDbased3T,
  title={GRIND-based 3D-QSAR to predict inhibitory activity for similar enzymes, OSC and SHC.},
  author={G. Ermondi and G. Caron},
  journal={European journal of medicinal chemistry},
  year={2008},
  volume={43 7},
  pages={
          1462-8
        }
}
  • G. Ermondi, G. Caron
  • Published 2008
  • Chemistry, Medicine
  • European journal of medicinal chemistry
  • GRIND-based 3D-QSAR methods are widely used in modern medicinal chemistry, since they are alignment-independent and almost completely automated. Nevertheless, their efficacy in predicting different biological activities for a single data set of compounds remains to be explored. In this study we explore the capabilities and limits of ALMOND procedure to predict the inhibitor potency of a series a non-terpenoid squalenehopene cyclase (SHC) inhibitors, and compare the results with recently… CONTINUE READING
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