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New Methods for Ligand-Based Virtual Screening: Use of Data Fusion and Machine Learning to Enhance the Effectiveness of Similarity Searching.

Jérôme HertPeter WillettDavid J. WiltonPierre AcklinKamal AzzaouiEdgar JacobyAnsgar Schuffenhauer
Published in: J. Chem. Inf. Model. (2006)
Keyphrases
  • data fusion
  • virtual screening
  • similarity searching
  • chemical structures
  • machine learning
  • similarity search
  • multi dimensional
  • feature selection
  • high throughput
  • metric space