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exactsearch [2012/10/15 07:42] – rkissexactsearch [2013/02/27 14:20] – rkiss
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 ====== Exact search ====== ====== Exact search ======
  
-{{:exact2.png?800|}}+{{: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.
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-Full (tautomer dependent): +  *  Full (tautomer dependent): 
-InChI=1/C11H11ClFNO2/c1-6(15)9-4-7(11(14)16)2-3-8(9)10(13)5-12/h2-6,15H,1H3,(H2,14,16)/b10-5-/t6-/m0/s1/i1+2/f/h14H2 +     * InChI=1/C11H11ClFNO2/c1-6(15)9-4-7(11(14)16)2-3-8(9)10(13)5-12/h2-6,15H,1H3,(H2,14,16)/b10-5-/t6-/m0/s1/i1+2/f/h14H2 
-Full (tautomer independent): +  * Full (tautomer independent): 
-InChI=1/C11H11ClFNO2/c1-6(15)9-4-7(11(14)16)2-3-8(9)10(13)5-12/h2-6,15H,1H3,(H2,14,16)/b10-5-/t6-/m0/s1/i1+2 +     * InChI=1/C11H11ClFNO2/c1-6(15)9-4-7(11(14)16)2-3-8(9)10(13)5-12/h2-6,15H,1H3,(H2,14,16)/b10-5-/t6-/m0/s1/i1+2 
-Sp3: +  * Sp3: 
-InChI=1/C11H11ClFNO2/c1-6(15)9-4-7(11(14)16)2-3-8(9)10(13)5-12/h2-6,15H,1H3,(H2,14,16)/b10-5-/t6-/m0/s1 +     * InChI=1/C11H11ClFNO2/c1-6(15)9-4-7(11(14)16)2-3-8(9)10(13)5-12/h2-6,15H,1H3,(H2,14,16)/b10-5-/t6-/m0/s1 
-Sp2: +  * Sp2: 
-InChI=1/C11H11ClFNO2/c1-6(15)9-4-7(11(14)16)2-3-8(9)10(13)5-12/h2-6,15H,1H3,(H2,14,16)/b10-5- +     * InChI=1/C11H11ClFNO2/c1-6(15)9-4-7(11(14)16)2-3-8(9)10(13)5-12/h2-6,15H,1H3,(H2,14,16)/b10-5- 
-Atom graph: +  * Atom graph: 
-InChI=1/C11H11ClFNO2/c1-6(15)9-4-7(11(14)16)2-3-8(9)10(13)5-12/h2-6,15H,1H3,(H2,14,16) +     * InChI=1/C11H11ClFNO2/c1-6(15)9-4-7(11(14)16)2-3-8(9)10(13)5-12/h2-6,15H,1H3,(H2,14,16) 
-Heavy atom: +  * Heavy atom: 
-InChI=1/C11H11ClFNO2/c1-6(15)9-4-7(11(14)16)2-3-8(9)10(13)5-12 +     * InChI=1/C11H11ClFNO2/c1-6(15)9-4-7(11(14)16)2-3-8(9)10(13)5-12 
-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. 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.
exactsearch.txt · Last modified: 2013/02/27 14:21 by rkiss