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 implement
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 yo
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 m
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
>> Kulczy
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
Dear All,
I am facing a problem in tanimoto scoring while comparing two molecules and
would
like to seek your advice on this:
I noticed that molecules such as Myristic acid and Palmitic acid have same
similarity score of 1, when queried with Lauric acid. Open babel considers
lauric
acid as subs
