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The (Re)-Evolution of Quantitative Structure-Activity Relationship (QSAR) Studies Propelled by the Surge of Machine Learning Methods.

Thereza A SoaresAriane Nunes-AlvesAngelica MazzolariFiorella RuggiuGuo-Wei WeiKenneth M Merz
Published in: Journal of chemical information and modeling (2022)
Keyphrases
  • structure activity relationship
  • machine learning
  • case control
  • artificial intelligence
  • high resolution
  • big data
  • deep learning
  • mass spectrometry
  • molecular dynamics simulations