Sign in

Interpretable Molecular Property Predictions Using Marginalized Graph Kernels.

Yan XiangYu-Hang TangGuang LinDaniel Reker
Published in: J. Chem. Inf. Model. (2023)
Keyphrases
  • graph kernels
  • structured data
  • kernel methods
  • gaussian processes
  • kernel function
  • data representation
  • kernel machines
  • feature space
  • databases
  • edit distance