Is it possible to draw shingle on the molecular structure for a specific bit?

[mohammad-saber]

Thank you very much for sharing your great work.

I have a question regarding MAP4 as bit vector.

When we have MAP4 as bit vector, is it possible to identify every bit is corresponding to which shingle and especially draw the shingle on molecular structure?

(similar to the function rdkit.Chem.Draw.DrawMorganBit() in RDKit library)

[alicecapecchi]

Hi Mohammad, No, I am sorry, this is not possible in the current implementation of MAP4. It would be a very welcomed contribution.
Cheers, Alice

[Franchaco]

Thanks for this great work Alice!

I come here to ask the same than @mohammad-saber, maybe now in 2023 you found a solution to get which shingle correspond to each bit vector? I am trying to get a solution for this, and maybe you could help me

Thanks in advance!