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Virtual reaction processing


  • Supports smart reaction rules to produce synthetically feasible products
  • Sequential or combinatorial mode
  • Product or reaction output
  • Select products to include in output
  • Use tagger components to distinguish inputs of multi-reactant reactions
  • Synthesis code generation
  • Output reaction mapping
  • Advanced options:

– Unambiguous only

– Ignore rules:

  • Reactivity and Exclude
  • Selectivity
  • Tolerance



Combinatorial Reactor Example




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