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Chemical XAI to Discover Probable Compounds' Spaces Based on Mixture of Multiple Mutated Exemplars and Bioassay Existence Ratio.

Takashi IsobeYoshihiro Okada
Published in: BigData Congress (2020)
Keyphrases
  • drug discovery
  • chemical compounds
  • neural network
  • experimental data
  • complementarity problems
  • databases
  • information systems
  • mixture model
  • standard deviation