thank you! this works great!
On Sun, Jun 17, 2018 at 3:09 PM, Andrew Dalke <da...@dalkescientific.com>
wrote:
> > On Jun 17, 2018, at 21:04, Raghuram Srinivas <
> raghuram.srini...@gmail.com> wrote:
> > Is there a way to convert a bit string of 2048 bits back to the SMILES /
> BitVector representation of the molecule? Any help /pointers in this
> direction will be much appreciated .
>
> That topic came up on this list in April of this year in a thread titled
> "Any known papers on reverse engineering fingerprints into structures?"
>
> I posted a rough draft of reversing a 2048-bit path fingerprint, in
> https://www.mail-archive.com/rdkit-discuss@lists.
> sourceforge.net/msg07861.html .
>
> Others gave additional references.
>
>
> Cheers,
>
> Andrew
> da...@dalkescientific.com
>
>
>
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