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Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning.

Joel Ricci-LopezSergio A. AguilaMichael K. GilsonCarlos A. Brizuela
Published in: J. Chem. Inf. Model. (2021)
Keyphrases
  • machine learning
  • data mining
  • feature selection
  • learning algorithm
  • data analysis
  • similarity search
  • drug discovery
  • virtual screening
  • chemical structures