in my experiment I need to make the process in the picture automatic, but I don’t know exactly how.
Basically, I need to subtract some molecular properties of a set of substructures (S) from a set of molecules (M). In order to use the Math Formula I decided to transpose both tables, so I start with the transposed table of S.
The first part of my small workflow is done to make sure that M contains the substructure S, whose descriptors will be subtracted. Then, in order to use the Math Formula, I needed to change the column headers and, after performing the subtraction, I close the loop and bring everything to normal again.
My problem is the column filter at the beginning, I’d like to use a Column list loop start to go through the transposed table of substructures with related properties one by one, but I would not know where to put the respective loop end. All options I have tried gave me the error that branches can’t contain loops.
I am not sure I was clear enough, in case feel free to ask for more details. I hope you can help me