Morgan Fingerprint using rdkit for machine learning application_part2

In this talk, we will see how to generate morgan fingerprint using rdkit from smiles string (In part 1).
Link for part 1
• Morgan Fingerprint usi...
Using these fingerprint we can train supervised learning model, and predict solubility of molecule just given the smiles string.

[@farideabd8248]

Hi,
If I wanted to create a representative fingerprint from some bits, is there any way?
I have some bits of Morgan fingerprint which have the highest impacts on my model and I want to create a fingerprint from them.

[@awa8061]

Hi faride abd
Generated fingerprint are specific for a particular structure distinguished from other molecule. But if you are interested in some specific part of molecule. Lets say carboxyl group. Then your model will be highly parameterized for that part unless you have a very good reason to do that.
If i understand you correctly you want to focus on particular functional part. If that's right then there are way. U can even visualize the bits for the molecule. Go ahead and do that. If you can't find then let me. I will b happy to discuss more

[@GFORGAME599]

Good job
You should make a guide on python too