On Feb 1, 2011, at 12:34 PM, Imran Haque wrote:
On 02/01/2011 05:37 AM, Daniel Zaharevitz wrote:
We will be
looking to find a set of fingerprints that
1) never (or as close to never as we can get) return a value of 1.0
for different structures.
I'm not sure that's it's implemented in
On 01/02/2011 07:12, Andrew Dalke wrote:
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
On Feb 1, 2011, at 4:49 AM, Chris Morley wrote:
On 01/02/2011 07:12, Andrew Dalke wrote:
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
On 02/01/2011 05:37 AM, Daniel Zaharevitz wrote:
We will be
looking to find a set of fingerprints that
1) never (or as close to never as we can get) return a value of 1.0
for different structures.
I'm not sure that's it's implemented in OpenBabel, but if it's a 2D
structural descriptor you
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
