[Dock-fans] Request evaluating test sets for scoring function

Sheng-Hung Wang gentamicin5 at yahoo.com.tw
Mon Jun 19 05:06:14 PDT 2006


Dear dockers,

I am developing a scoring function for protein-ligand interactions. 
This program still needs more validations.  I know a dataset with
docked poses of conformers could be download from:
http://sw16.im.med.umich.edu/software/xtool/
(J. Med. Chem. 2003, 46, 2287-2303)
This can be used for the validation of prediction of binding modes.

On the other hand, I still need a test set with known actives and
decoys.
I think this would be important for reducing false positive.
Is there any good test set available for this purpose?

Best wishes,
Sheng-Hung

http://home.pchome.com.tw/team/gentamicin/mol/mol.htm
Candidate for Doctor's Degree
Graduate Institute of Pharmaceutical Chemistry
China Medical University



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