[Scaffoldhunter-devel] How to find the exact input molecules?

[Jing Lu <aj...@gm...>]

Dear Scaffold Hunter developers,


Sorrry to send this again. But, I am not sure where to ask questions. I try
to put ligand id to tooltip to keep track of each molecule. It seems like
impossible. Moreover, I find Scaffold Hunter changes the SMILE string I put
in the input file. How to keep track of the exact molecule?

Does Scaffold Hunter convert the original input molecules to a scaffold
first? Because, when I was checking the leaf nodes, the structure does not
really exist in my input file. How to inteperate that?



Thanks,
Jing