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Analyzing Learned Molecular Representations for Property Prediction.

Kevin YangKyle SwansonWengong JinConnor W. ColeyPhilipp EidenHua GaoAngel Guzman-PerezTimothy HopperBrian KelleyMiriam MatheaAndrew PalmerVolker SettelsTommi S. JaakkolaKlavs F. JensenRegina Barzilay
Published in: J. Chem. Inf. Model. (2019)
Keyphrases
  • prediction accuracy
  • prediction algorithm
  • drug design
  • three dimensional
  • neural network
  • prediction model
  • data mining
  • desirable properties
  • protein structure prediction
  • dna computing