Modeling of p38 mitogen-activated protein kinase inhibitors using the Catalyst HypoGen and k-nearest neighbor QSAR methods.

@article{Xiao2004ModelingOP,
  title={Modeling of p38 mitogen-activated protein kinase inhibitors using the Catalyst HypoGen and k-nearest neighbor QSAR methods.},
  author={Zhiyan Xiao and S. Mohan Varma and Yun-De Xiao and Alexander Tropsha},
  journal={Journal of molecular graphics & modelling},
  year={2004},
  volume={23 2},
  pages={129-38}
}
We have employed in parallel the Catalyst HypoGen pharmacophore modeling approach and the variable selection k-nearest neighbor quantitative structure-activity relationship (kNN QSAR) method to model a diverse data set of p38 mitogen-activated protein (MAP) kinase inhibitors. The HypoGen pharmacophore model, developed from a novel automated training set… CONTINUE READING