Example Programs: FINDRXN

(in $DY_ROOT/contrib/src/c/reaction/)

What it does:

Finds reactions with common component reactants and products.

  • Takes a reactant and product SMILES on input.
  • Finds all crossreferences for the given SMILES.
  • Generates and outputs the list of reactions with the components in common.

    What it illustrates:

    Daylight Chemical Information Systems Inc.