On Jan 31, 2011, at 8:15 PM, chakravar...@ncbs.res.in wrote:
> I noticed that molecules such as Myristic acid and Palmitic acid have same
> similarity score of 1,
...
> I am thinking of modifying Tanimoto score to other coefficient's like
> Kulczynski
> index or Russel index.
The only way to get a Tanimoto score of 1 is if the two fingerprints are
identical. In that case there is no scoring method can tell the difference
between the two because they are identical.
To get what you want you'll need to come up with a new fingerprinting scheme,
not a new scoring method.
Andrew
da...@dalkescientific.com
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