Re: [Rdkit-discuss] comparing two or more tables of molecules

[Markus S. <mar...@gm...>]

Well, since George mentioned a talk by me, I wish we would have implemented
our tool back then using an open-source tool like RDKit (which wasn't very
well know back then), and also would have been so smart to use SMARTS for
the transformation rules (partially they are implemented as SMARTS but big
parts are other CACTVS script functionalities).

There is still an intention by me to continue/advance (whatever) on this
and make it openly available, but I must admit it is a quite vague
intention currently.

Markus