Hello,
I created a numpyarray from a molecule using the following function:
AllChem.GetMorganFingerprintAsBitVect()
Now I would like to convert back to bit vector the numpy array, in order to
calculate the Tanimoto similarity of two compounds. Is this possible?
thanks
Thomas
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Thomas Evangelidis
Research Specialist
CEITEC - Central European Institute of Technology
Masaryk University
Kamenice 5/A35/1S081,
62500 Brno, Czech Republic
email: [email protected]
[email protected]
website: https://sites.google.com/site/thomasevangelidishomepage/
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