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Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection - What can we learn from earlier mistakes?

Johannes KirchmairPatrick MarktSimona DistintoGerhard WolberThierry Langer
Published in: J. Comput. Aided Mol. Des. (2008)
Keyphrases
  • virtual screening
  • chemical structures
  • databases
  • knn
  • multi dimensional
  • optimal assignment