R Group Composition node request

Hi,

As new nodes are appearing to generate reactions and enumerations, is it also possible to introduce a R Group Composition node to enumerate structures.

This will work where you can take a table containing a scaffold column (such as the Scaffold column from the R Group Decomposer node with Rx groups around the scaffold) and take numerous columns containing molecules with an Attachment point (again like the "R-Group #x" columns from the R Group Decomposer node). The node will allow the user to match up the R Group to the desired Rx atom in the scaffold and then the node will enumerate all possible products.

If this is introduced, then it would be great to have an enhancement made to the Atom Replacer node where you can also choose to replace a specified atom for an attachment point. As far as I can see, you can only replace atoms for another atom, there is no option to replace an atom for an attachment point. This would be very useful for replacing for instance a halogen like Bromine for an attachment point for introduction into the R Group Composer node mentioned above.

 

Thanks,

Simon.