Meaning that you'd like a copy of those or meaning that you were
remembering the wrong thing?
On Sunday, May 4, 2014, Jan Domanski <[email protected]> wrote:
> Many thanks Greg – that's the slides that I've been looking for! ;-)
>
> - Jan
>
>
> On 4 May 2014 17:04, Greg Landrum
> <[email protected]<javascript:_e(%7B%7D,'cvml','[email protected]');>
> > wrote:
>
>> Hi Jan,
>>
>> On Sun, May 4, 2014 at 5:19 PM, Jan Domanski
>> <[email protected]<javascript:_e(%7B%7D,'cvml','[email protected]');>
>> > wrote:
>>
>>>
>>> Some time ago I remember finding a presentation that showed similarity
>>> between the original daylight and the daylight-like fingerprint calculated
>>> in rdkit. I think it was a scatter plot of some sort, where the two
>>> fingeprints were calculated for a set of molecules.
>>>
>>>
>> I've done that for the Pipeline Pilot ECFP/FCFP and RDKit Morgan
>> fingerprints, but I don't recall seeing one for the daylight fingerprint
>> (and don't have access to Daylight to test it).
>>
>>
>>> The question that I'm trying to answer is how are the daylight-like and
>>> daylight-original correlated? My feeling is that they're pretty similar but
>>> i can't find any research on this.
>>>
>>
>> Given that the default RDKit fingerprint includes branched paths, which
>> the Daylight-original does not, I'd guess that there would be some
>> differences. If you limit the RDKit fingerprint to include
>> non-branched-paths, I'd expect things to be similar. But then who knows...
>> :-)
>>
>> -greg
>>
>>
>>
>>
>>>
>>> Tried searching the mailing list archives with no luck.
>>>
>>> Thanks,
>>>
>>> - Jan
>>>
>>>
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>>
>
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