I'm currently confronting a problem:
I would need to enumerate all chemical bond breakages that occur during a given chemical reaction, including the type of bond and the atoms participating in the bond. This is straightforward to do by visual inspection if one has, say, the 2-D structures of the reactants and products of a given reaction.
My problem is that I have a list of several thousand reactions, and I need a computer to do the job for me. To this end, I got the InChI (and SMILES) representations of all molecules participating in each reaction. At first, I thought that it would be rather easy to write a program that identifies and enumerates the broken bonds in the reactants (given the InChI strings), but by now I'm starting to become desperate.
Perhaps someone knows any software able to do this?