Dear Greg
If you go to ambinter.com, you will see
button red, around 16 millions chemicals with descriptors calculated by Rdkit
button blue
to “pick” 10 molecules from 100 or more, using Rdkit
to “scaffold”, using Rdkit
Could you write your comments and suggest improvements ?
For the depiction I am limited to 10 chemicals ???
Best Regards
Christian de Bouillé
------------------------------------------------------------------------------
The ultimate all-in-one performance toolkit: Intel(R) Parallel Studio XE:
Pinpoint memory and threading errors before they happen.
Find and fix more than 250 security defects in the development cycle.
Locate bottlenecks in serial and parallel code that limit performance.
http://p.sf.net/sfu/intel-dev2devfeb
_______________________________________________
Rdkit-discuss mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
