[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:
(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
I think this would be important for reducing false positive.
Is there any good test set available for this purpose?

Best wishes,

Candidate for Doctor's Degree
Graduate Institute of Pharmaceutical Chemistry
China Medical University

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