Compound Library Screen For Reaction Enumeration

Created: 2010-12-14 08:52:39      Last updated: 2011-07-21 18:29:18

This workflow performs a compound library screen for molecules which match the given template reaction. The reaction is loaded from a RXN file and the Reaction_Reactant_Splitter splits the reaction into its reactants. The compound library is loaded iteratively from a SD file. Afterwards a substructure search is performed for each reactant and the results are saved as SD files.

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