Good Morning everybody,

I would like to use "learn molecular categories" component in my protocol in order to create a tool that can separate a set of drugs in few groups.
For this, I would like to use some properties that are included in the "PredefinedSet" and some others that I calculated before with another tool. As an example, I will calculate AlogP, Molecular_Weight... and also E_LUMO, E_HOMO... which are not in the PredefinedSet

However, I don't see how I can do that. Would you like helping me please?

I hope I will ear from you very quickly.
Thank you in advance.

Sylvain