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MultiDK: A Multiple Descriptor Multiple Kernel Approach for Molecular Discovery and Its Application to Organic Flow Battery Electrolytes.

Sungjin KimAdrian JinichAlán Aspuru-Guzik
Published in: J. Chem. Inf. Model. (2017)
Keyphrases
  • multiple kernel
  • data mining
  • kernel methods
  • data sets
  • decision trees
  • linear combination
  • multiple kernel learning