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Clustering Protein Binding Pockets and Identifying Potential Drug Interactions: A Novel Ligand-Based Featurization Method.

Garrett A. StevensonDan KirshnerBrian J. BennionYue YangXiaohua ZhangAdam T. ZemlaMarisa W. TorresAidan EpsteinDerek JonesHyojin KimW. F. Drew BennettSergio Ernesto WongJonathan E. AllenFelice C. Lightstone
Published in: J. Chem. Inf. Model. (2023)
Keyphrases
  • clustering method
  • preprocessing
  • high accuracy
  • detection method
  • clustering algorithm
  • significant improvement
  • pairwise
  • distance metric
  • high precision
  • drug design
  • k means
  • unsupervised learning