Hello everybody,

I would like to generate fragments from a set of molecules in a different way from the component "Generate Fragments". I don't know if this is possible or easily done in PP; I've been trying but with no success. If possible I would like to do 2 slightly different things:

1) Remove from a compound only what is defined as "linker" in the Bemis-Murcko molecular frameworks; i.e. the chains that link different ring systems. In this way I should obtain ring systems with the relative side chains as fragments (without the chain that was part of the linker).

2) Generate ring assemblies as they are defined in the PP "Generate Fragments" component, retaining specified functional groups (e.g. OH, NH2, COOH, CF3 etc).

Thanks for the help!

Matteo