Small fragments library for fast SAR

[rubbs14]

It would be great to add functionality to quickly generate a basic SAR around a mutation point, i.e. Me -> Cyclopropyl; OH -> OMe; etc.

[DrrDom]

Could you please elaborate more on this example?

Currently it is possible to specify an atom to be replaced or grown in mutate_mol function as well as in grow_mol and all derivatives will be only on this point. Moreover, the mutation function will also return grow derivatives if an input molecule has explicit hydrogens. So, it seems that this is achievable.