Reaction Based Enumeration

Set up the reaction or reaction sequence. Three methods are available for creating the reaction sequence: PathFinder analysis, which decomposes a structure by looking for reactions to synthesize it; choice of reactions from a library of reactions; and sketching the reaction sequence in the Sketcher.

Backend implementation

$SCHRODINGER/run combinatorial_synthesis.py

Input ports

1. Type: Table
   Input in Maestro format
   Input in Maestro format

Output ports

1. Type: Table
   Output in Maestro format
   Output in Maestro format