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"SimpleTanimotoIndex" script calculates Tanimoto similarities of given molecules (from SMILES to Tanimoto index).

Python 100.00%
chemistry python smile structure tanimoto tanimoto-coefficient

simpletanimotoindex's Introduction

SimpleTanimotoIndex

"SimpleTanimotoIndex" script calculates Tanimoto similarities of given molecules in the form of smiles.

Required Packages:

  • rdkit

Please refer to:

José Raúl Belmonte

PhD in Chemistry at the University of Almeria, Spain.

eMail: [email protected]

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