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[News]
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Can we trust docking results?
Sept 2010 IBM Systems and Technology Group releases a white paper with eHiTS and Cell
Oct 2008
EPA's ToxCastTM project will use SimBioSys' eHiTS as docking
engine
Nov, 2007
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[Events]
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243rd ACS
Mar 25-29, 2012
San Diego, CA
see >> more
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to be held in Boston, MA, Aug 22 - 26, 2010
Presentation in COMP 122
SESSION: The Community Structure-Activity Resource (CSAR) Scoring Challenge (09:00 AM - 11:50 AM)
Monday, August 23, 2010 10:05 AM
Scoring performance of eHiTS on the CSAR dataset
Zsolt Zsoldos , Orr Ravitz
SimBioSys Inc., 135 Queen's Plate Dr, Unit 520, Toronto, ON M9W 6V1,
Canada
Abstract:
Numerous studies have pointed out at the inability of scoring functions
to perform uniformly well accross all biological systems of interest.
Some studies suggest guidelines for choosing the best method for a
specific problem, others advocate consensus techniques.
An
alternative solution is to tailor the scoring function for the system
of interest. eHiTS uses a novel scoring method consisting of
statistical knowledge focused on interacting surface points and
physical terms combined with an adaptive parameter scheme. During the
automated tuning of eHiTS-score, receptor targets are clustered
according to the chemical and shape similarity of the active site, and
weight sets are optimized for each family.
The performance of
eHiTS on the CSAR dataset was evaluated using the default parameters
(pre-tuned on other data). In addition, the automatic tuning utility
was run on one subset of the CSAR data and tested on the other. Results
will be presented from both studies.
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Full Presentation
Back to:
Fall ACS, 2010 presentations:
[1], [2], [3], [4], [5]
Back to the SimBioSys:
All Past Presentations or Upcoming Events
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