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CSAR data set release 2012: Ligands, affinities, complexes, and docking decoys

  • Author(s): Gestwicki, Jason
  • Dunbar, JB
  • Smith, RD
  • Damm-Ganamet, KL
  • Ahmed, A
  • Esposito, EX
  • Delproposto, J
  • Chinnaswamy, K
  • Kang, YN
  • Kubish, G
  • Gestwicki, JE
  • et al.

Published Web Location

http://europepmc.org/articles/PMC3753885?pdf=render
No data is associated with this publication.
Abstract

A major goal in drug design is the improvement of computational methods for docking and scoring. The Community Structure Activity Resource (CSAR) has collected several data sets from industry and added in-house data sets that may be used for this purpose (

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