Hi Paul,
very interesting, thanks a lot for sharing!
Looking forward to the presentation at the UGM!
Kind regards,
Axel
On 27.09.2016 06:13, Paul Czodrowski wrote:
Dear RDKitters,
Our target prediction method – fully based on RDKit – has become online:
OCEAN: *O*ptimized *C*ross r*EA*ctivity estimatio*N*
http://pubs.acs.org/doi/abs/10.1021/acs.jcim.6b00067
The source code can be found here:
https://github.com/rdkit/OCEAN
We will give a talk as well an hands-on workshop at the upcoming RDKit
UGM end of October.
Cheers,
Guido & Paul
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