[Dockdev] Docking and Scoring algorithms

DAVID M ROGERS rogersdd at email.uc.edu
Wed Feb 23 14:03:56 PST 2005


  Woops! The correlations I quoted in my last posting were
actually derived from comparison with the X-CScore test set
(reference below).
  My PI gave me the data and I just did the number crunching
on it (unable to find its source until now).  Anyway, if you
want to try and reproduce it, I can give you my (bash and
python) scripts.

http://sw16.im.med.umich.edu/software/xtool/
link at bottom of page -> dockset

~ David Rogers
Graduate Student
Department of Chemistry
University of Cincinnati


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