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Shaping a Screening File for Maximal Lead Discovery Efficiency and Effectiveness: Elimination of Molecular Redundancy.

Gregory A. BakkenAndrew BellMarkus BoehmJeremy R. EverettRosalia GonzalesDavid HepworthJacquelyn L. Klug-McLeodJeremy LanfearJens LoeselJohn MathiasTerence P. Wood
Published in: J. Chem. Inf. Model. (2012)
Keyphrases
  • drug discovery
  • database
  • databases
  • data mining
  • real time
  • neural network
  • three dimensional
  • computational complexity
  • knowledge discovery
  • pattern discovery