Choosing featurizers

Hi there,
I am fairly new to DeepChem and and Cheminformatics in general. I have questions about choosing the right featurizers to use.

  • With the same formulation, per say C15H22N2O2, I have different molecules (different SMILES)
  • I want to see the differences among them by featurization, but not sure which one would be the best?
    Any advice would be appreciated. Thank you.

Welcome to the community! The first place I’d suggest is working through our tutorials ( to learn about some standard ways of featurizing.

To view featurization, I’d recommend using an ipython notebook or shell and just calling the featurizer. You can do things like

feat = dc.feat.CircularFingerprint()

And inspect the output

Thank you. I will try things out.

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