[Zinc-fans] pPvalue:34 maxTC:51

[John J. Irwin]

Hi Menachem

pPvalue: 34 is read as "You would need to pick 10^34 molecules at random
in order to find this molecule given this annotation by chance".  This
is the SEA method, http://sea.docking.org/ and papers cited therein.
i.e. this molecule highly resembles the annotated ligands for the
indicated annotation, compared to random.

maxTC: 51 is read as "the most similar annotated ligand for this
annotation to this molecule is 51% Tanimoto similar, based on
pseudo-Daylight fingerprints."  i.e. not very similar at all.

Taken together, these two numbers indicate that this prediction is
significant  (pPvalue) and non-trivial (maxTC).

I hope this is helpful.  When the paper appears - one of these years -
this will be all explained in great detail.

John


Menachem Shoham wrote:
> Hi,
>
> What does pPvalue:34 maxTC:51  mean?
>
> Thanks,
> Menachem Shoham
>
>
> Menachem Shoham, Ph.D.
>
> Case Western Reserve University
>
> School of Medicine, Department of Biochemistry
>
> 10900 Euclid Ave
>
> Cleveland, OH 44106-4935
>
> Tel. 216-368-4665
>
> Fax  216-368-3419
>
> E-mail: mxs10 at case.edu <mailto:mxs10 at case.edu>
>
> http://www.cwru.edu/med/biochemistry/faculty/shoham.html
>
>
>
>
>
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