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An Efficient in Silico Screening Method Based on the Protein-Compound Affinity Matrix and Its Application to the Design of a Focused Library for Cytochrome P450 (CYP) Ligands.

Yoshifumi FukunishiShinichi HojoHaruki Nakamura
Published in: J. Chem. Inf. Model. (2006)
Keyphrases
  • pairwise
  • k means
  • semi supervised learning