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Calculating Tanimoto coefficients

Is there any way to calculate Tanimoto coefficients in CDD? 

 

Whenever you perform a similarity search, the Tanimoto coefficient is automatically returned expressed as a percent. The score shows up under the molecule image in the search results and as a separate field/column in exports.

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To start, launch the structure editor on the search page and draw or paste one structure of interest. Adjust the project selection as needed, or if you simply want to compare two specific structures, you can add the other molecule ID in the keyword section.

Learn more about the Tanimoto similarity index from ChemAxon: http://www.chemaxon.com/jchem/doc/user/query_similarity.html#metrics

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