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Comparing predictive ability of QSAR/QSPR models using 2D and 3D molecular representations.

Akinori SatoTomoyuki MiyaoSwarit JasialKimito Funatsu
Published in: J. Comput. Aided Mol. Des. (2021)
Keyphrases
  • drug discovery
  • predictive model
  • distributed representations
  • three dimensional
  • experimental data
  • real time
  • machine learning
  • prior knowledge
  • statistical models
  • qualitative models
  • feature representations