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



-- 

======================================================================

Thomas Evangelidis

Research Specialist
CEITEC - Central European Institute of Technology
Masaryk University
Kamenice 5/A35/1S081,
62500 Brno, Czech Republic

email: tev...@pharm.uoa.gr

          teva...@gmail.com


website: https://sites.google.com/site/thomasevangelidishomepage/
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