Advances in the Development of Shape Similarity Methods and Their Application in Drug Discovery

@article{Kumar2018AdvancesIT,
  title={Advances in the Development of Shape Similarity Methods and Their Application in Drug Discovery},
  author={Ashutosh Kumar and Kam Y. J. Zhang},
  journal={Frontiers in Chemistry},
  year={2018},
  volume={6}
}
Molecular similarity is a key concept in drug discovery. It is based on the assumption that structurally similar molecules frequently have similar properties. Assessment of similarity between small molecules has been highly effective in the discovery and development of various drugs. Especially, two-dimensional (2D) similarity approaches have been quite popular due to their simplicity, accuracy and efficiency. Recently, the focus has been shifted toward the development of methods involving the… 

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