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CompScore: Boosting Structure-Based Virtual Screening Performance by Incorporating Docking Scoring Function Components into Consensus Scoring.

Yunierkis Pérez-CastilloStellamaris Sotomayor-BurneoKarina Beatriz Jimenes VargasMario Salvador González-RodríguezMaykel Cruz-MonteagudoVinicio Armijos-JaramilloM. Natália Dias Soeiro CordeiroFernanda BorgesAminael Sánchez-RodríguezEduardo Tejera
Published in: J. Chem. Inf. Model. (2019)
Keyphrases
  • scoring function
  • virtual screening
  • drug discovery
  • similarity searching
  • feature selection
  • reinforcement learning
  • similarity search
  • high throughput
  • image retrieval
  • learning process
  • bayesian inference