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Keywords:

  • Kernel;
  • Chemogenomics;
  • Kinomics;
  • Virtual screening;
  • Chemoinformatics

Abstract

Chemogenomic kinase-kernel virtual screening models interpolate between very accurate, empirically-trained Profile-QSAR models of the nearest binding-site homologues with IC50 assay data. Between them, activity has been predicted for the entire human kinome.