Three-Dimensional Compound Comparison Methods and Their Application in Drug Discovery

@article{Shin2015ThreeDimensionalCC,
  title={Three-Dimensional Compound Comparison Methods and Their Application in Drug Discovery},
  author={Woong-Hee Shin and Xiaolei Zhu and Mark G. Bures and Daisuke Kihara},
  journal={Molecules},
  year={2015},
  volume={20},
  pages={12841 - 12862}
}
Virtual screening has been widely used in the drug discovery process. Ligand-based virtual screening (LBVS) methods compare a library of compounds with a known active ligand. Two notable advantages of LBVS methods are that they do not require structural information of a target receptor and that they are faster than structure-based methods. LBVS methods can be classified based on the complexity of ligand structure information utilized: one-dimensional (1D), two-dimensional (2D), and three… 

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