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[Blog]
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Most recent post
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[News]
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IBM's Systems & Technology Group releases a white paper with
eHiTS & Cell
Oct 2008 Virtual Screening by Flexible Docking on a PlayStation 3
Apr, 2008
EPA's ToxCastTM project will use SimBioSys' eHiTS as docking engine
Nov, 2007
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[Events]
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| 240th ACS
Aug 22-26, 2010
Boston, MA, USA
booth #945
see >> more
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CAESA: Computer Assisted Estimation of Synthetic Accessibility
Examples
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Example1:
Output showing derivation of the synthetic accessibility estimate,
retrosynthetic steps, and starting materials that can be used to synthesize
this compound.
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Synthetic accessibility rankings for various commercial drugs. Information
for retrosynthetic steps and starting materials that can be used to synthesize
them are also provided.
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