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MBROLE 2.0 - functional enrichment of chemical compounds.

Javier López-IbáñezFlorencio PazosMonica Chagoyen
Published in: Nucleic Acids Res. (2016)
Keyphrases
  • chemical compounds
  • drug discovery
  • structural features
  • biological networks
  • graph kernels
  • subgraph isomorphism
  • graph databases
  • graph data
  • feature selection
  • data structure
  • high dimensional
  • random walk