User Tools

Site Tools


exactsearch

Differences

This shows you the differences between two versions of the page.

Link to this comparison view

Both sides previous revisionPrevious revision
Next revision
Previous revision
exactsearch [2013/01/14 09:37] sanmarkexactsearch [2013/02/27 14:21] (current) rkiss
Line 1: Line 1:
 ====== Exact search ====== ====== Exact search ======
  
-{{:exact2.png?700|}}+{{:exact_new.png?800|}}
  
 The primary goal of exact searching is to identify one particular molecule or a set of isomers of the same molecule. The primary goal of exact searching is to identify one particular molecule or a set of isomers of the same molecule.
Line 11: Line 11:
 ===== How to use ===== ===== How to use =====
  
 +Exact searching in mcule is based on [[http://www.inchi-trust.org/inchi|InChI]]. The layered structure of the InChI string allows to make the comparison of the query and the target on different matching levels. Users can choose from the following **“Matching level”** options: Full, Sp3 configuration, Sp2 configuration, Atom graph, Heavy atom, Formula.
  
   *  Full (tautomer dependent):   *  Full (tautomer dependent):
Line 26: Line 27:
   * Formula:   * Formula:
      * InChI=1/C11H11ClFNO2      * InChI=1/C11H11ClFNO2
- 
-Exact searching in mcule is based on [[http://www.inchi-trust.org/inchi|InChI]]. The layered structure of the InChI string allows to make the comparison of the query and the target on different matching levels. Users can choose from the following **“Matching level”** options: Full, Sp3 configuration, Sp2 configuration, Atom graph, Heavy atom, Formula. 
  
 It is also possible to set whether the exact search should be performed on the specific tautomer (and protonation state) specified in the input, or the search should be tautomer (and protonation state) independent (**“Tautomer independent”** box). It is also possible to set whether the exact search should be performed on the specific tautomer (and protonation state) specified in the input, or the search should be tautomer (and protonation state) independent (**“Tautomer independent”** box).
exactsearch.txt · Last modified: 2013/02/27 14:21 by rkiss