Common Pharmacophore Identification Using Frequent Clique Detection Algorithm

@article{Podolyan2009CommonPI,
  title={Common Pharmacophore Identification Using Frequent Clique Detection Algorithm},
  author={Yevgeniy Podolyan and George Karypis},
  journal={Journal of chemical information and modeling},
  year={2009},
  volume={49 1},
  pages={13-21}
}
The knowledge of a pharmacophore, or the 3D arrangement of features in the biologically active molecule that is responsible for its pharmacological activity, can help in the search and design of a new or better drug acting upon the same or related target. In this paper, we describe two new algorithms based on the frequent clique detection in the molecular… CONTINUE READING