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substructuresearch [2012/10/11 22:16] – created rkisssubstructuresearch [2012/10/14 07:34] – rkiss
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-Substructure search identifies molecules that contains a specific fragment (substructure). +Substructure search identifies molecules that contains a specific fragment (substructure).
  
 ===== When to use ===== ===== When to use =====
    
  
-Substructure searching is frequently applied for hit exploration. Unlike similarity searching(link)), it outputs only those molecules containing the whole query molecule. It can therefore retrieve close analogs of a particular scaffold (e.g. HTS hit (link) or reference ligand), which can be used to build an initial SAR (structure-activity relationship).+Substructure searching is frequently applied for hit exploration. Unlike [[similaritysearch|similarity searching]], it outputs only those molecules containing the whole query molecule. It can therefore retrieve close analogs of a particular scaffold (e.g. [[http://en.wikipedia.org/wiki/High-throughput_screening|HTS]] hit or reference ligand), which can be used to build an initial [[http://en.wikipedia.org/wiki/Structure-activity_relationship|SAR]] (structure-activity relationship).
  
 ===== How to use ===== ===== How to use =====
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 ===== Results ===== ===== Results =====
  
-- molecules satisfying search criteria+Molecules satisfying search criteria
substructuresearch.txt · Last modified: 2013/02/27 14:32 by rkiss