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search [2013/02/26 15:55] rkisssearch [2013/02/26 16:00] – [How to use] rkiss
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 The query molecule can be specified by the [[sketcher|Drawer]] or by entering mcule IDs, SMILES strings or InChIs. The query molecule can be specified by the [[sketcher|Drawer]] or by entering mcule IDs, SMILES strings or InChIs.
  
-The following search types are available+The following search types are available:
  
-**[[similaritysearch|Similarity]]** can retrieve close analogs of a query molecule (e.g. an [[http://en.wikipedia.org/wiki/High-throughput_screening|HTS]] hit). “Similarity threshold” ([[http://en.wikipedia.org/wiki/Jaccard_index|Tanimoto coefficient]]) controls how similar the hits from the query need to be. 
  
-**[[substructuresearch|Substructure]]** can be used to find all molecules that contain a specific substructure (e.g. the main scaffold of a reference ligand). 
  
-**[[exactsearch|Exact]]** can be useful when looking for a specific molecule (e.g. a reference ligand).+**[[similaritysearch|Similarity searching]]** can be used to retrieve close analogs of a query molecule (e.g. an [[http://en.wikipedia.org/wiki/High-throughput_screening|HTS]] hit). 
 + 
 +**[[substructuresearch|Substructure searching]]** can be used to find all molecules that contain a specific substructure (e.g. the main scaffold of a reference ligand). 
 + 
 +**[[exactsearch|Exact searching]]** can be used to find a specific compound (e.g. a reference ligand).
  
  
search.txt · Last modified: 2013/10/10 16:05 by flack