Bioactivities of a series of phosphodiesterase type 5 (PDE-5) inhibitors as modelled by MIA-QSAR.

@article{Antunes2008BioactivitiesOA,
  title={Bioactivities of a series of phosphodiesterase type 5 (PDE-5) inhibitors as modelled by MIA-QSAR.},
  author={Jo{\~a}o E Antunes and Matheus P. Freitas and Roberto Rittner},
  journal={European journal of medicinal chemistry},
  year={2008},
  volume={43 8},
  pages={1632-8}
}
A series of cyclic guanine derivatives, phosphodiesterase type 5 (PDE-5) inhibitors, have been modelled using an image-based approach for quantitative structure-activity relationships (MIA-QSAR). The calibration model showed to be robust with a R(2) of 0.864 using five PLS components. The predictive ability of the model was tested through leave-one-out cross-validation, giving a Q(2)(CV) of 0.605 (Q(2)(CV) improves to 0.721 after removing two outliers). An external validation set was also used… CONTINUE READING