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Achieving Well-Informed Decision-Making in Drug Discovery: A Comprehensive Calibration Study using Neural Network-Based Structure-Activity Models.

Hannah Rosa FriesacherOla EngkvistLewis H. MervinYves MoreauAdam Arany
Published in: CoRR (2024)
Keyphrases
  • drug discovery
  • neural network
  • data mining
  • statistical models
  • machine learning
  • preprocessing
  • structural properties
  • biological systems
  • data mining tools