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Graph Kernels for Molecular Structure-Activity Relationship Analysis with Support Vector Machines.

Pierre MahéNobuhisa UedaTatsuya AkutsuJean-Luc PerretJean-Philippe Vert
Published in: J. Chem. Inf. Model. (2005)
Keyphrases
  • molecular structure
  • graph kernels
  • databases
  • machine learning
  • feature selection
  • pairwise