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UnfoldedRDKFingerprintCountBased returns a different fingerprint length for every molecule #4212

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greglandrum opened this issue Jun 6, 2021 · 0 comments
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@greglandrum
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Here's the reproducible:

>>> ms = [Chem.MolFromSmiles(x) for x in ('c1ccccc1','CCCC')]
>>> fps = [Chem.UnfoldedRDKFingerprintCountBased(x) for x in ms]
>>> [x.GetLength() for x in fps]
[3764713634, 4275705117]

Expected behavior
Those fingerprints should all be the same length

Configuration (please complete the following information):

  • RDKit version: all
  • OS: all

Additional context
I guess no one is actually using this code, because you can't calculate similarity between these FPs unless you get really luck.

@greglandrum greglandrum added the bug label Jun 6, 2021
@greglandrum greglandrum added this to the 2021_03_3 milestone Jun 6, 2021
greglandrum added a commit that referenced this issue Jun 6, 2021
greglandrum added a commit that referenced this issue Jun 9, 2021
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