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