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Integrating Expert Knowledge with Deep Learning Improves QSAR Models for CADD Modeling.

Yunchao Lance LiuRocco MorettiYu WangBobby BodenheimerTyler DerrJens Meiler
Published in: bioRxiv : the preprint server for biology (2023)
Keyphrases
  • deep learning
  • molecular docking
  • healthcare
  • molecular dynamics
  • artificial intelligence
  • convolutional neural network
  • clinical practice
  • machine learning
  • structure activity relationship