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Novel Methods for Prioritizing "Close-In" Analogs from Structure-Activity Relationship Matrices.

Liying ZhangKjell JohnsonJeremy StarrJared MilbankAndrew M. KuhnChristopher PossRobert V. StantonVeerabahu Shanmugasundaram
Published in: J. Chem. Inf. Model. (2017)
Keyphrases
  • learning algorithm
  • empirical studies
  • database
  • real time
  • information retrieval
  • information systems
  • preprocessing
  • evolutionary algorithm
  • collaborative filtering
  • benchmark datasets
  • complex structures