I would highly recommend this paper where the authors describe an
alternative to arbitrary similarity cutoffs
https://pubs.acs.org/doi/pdf/10.1021/ci7004498
Pat
On Wed, Jul 4, 2018 at 9:31 AM Maciek Wójcikowski
wrote:
> Hi
>
> As Nils has mentioned this is fingerprint dependent. ECFP4 have
Hi
As Nils has mentioned this is fingerprint dependent. ECFP4 have the
significant cutoff ~0.4, see https://pubs.acs.org/doi/10.1021/ci7004498
Pozdrawiam, | Best regards,
Maciek Wójcikowski
mac...@wojcikowski.pl
2018-07-04 8:44 GMT+02:00 Nils Weskamp :
> Dear Phuong,
>
> unfortunately,
Dear Phuong,
unfortunately, there is no generic answer to this question since it is
highly dependent on the fingerprint, the type of compounds, your
specific application and also your chemical intuition. I can only
recommend to test a range of different cutoff values and to see how
happy you are
To whom it may concern,
I was working on finding a group of possible neighbors (similar) chemicals
based on Tanimoto Similarity. I am not sure what is the optimal cutoff for
finding similar chemicals. I searched online and they said it is 0.85 but
there are also many exceptions they mentioned
Dear Nick,
On Thu, Aug 30, 2012 at 3:08 PM, Nicholas Firth
nicholas.fi...@icr.ac.uk wrote:
Hi RDKiters,
I've been calculating the Tanimoto similarity of sparse in vectors using C++
and I can't seem to work out whether or not this is the binary Tanimoto index
or the Integer version. I've
Dear Gonzalo,
On Sat, Apr 14, 2012 at 3:06 PM, Gonzalo Colmenarejo-Sanchez
gonzalo.2.colmenar...@gsk.com wrote:
But I’m getting the following error message: “error: no matching function
for call to ‘TanimotoSimilarity(ExplicitBitVect, ExplicitBitVect)’”
you need to #include
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