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smartsquery [2012/10/14 07:53] – rkisssmartsquery [2012/10/14 07:54] – rkiss
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-To create a SMARTS query, you can either go through the [[http://www.daylight.com/dayhtml/doc/theory/theory.smarts.html|Daylight documentation]], or use a molecule sketcher supporting the export of the SMARTS format (e.g. MarvinSketch from [[http://www.chemaxon.com/products/marvin/marvinsketch|ChemAxon]]).+To create a SMARTS query, you can either go through the [[http://www.daylight.com/dayhtml/doc/theory/theory.smarts.html|Daylight documentation]], or use a molecule sketcher supporting the export of the SMARTS format (e.g. [[http://www.chemaxon.com/products/marvin/marvinsketch|MarvinSketch from ChemAxon]]).
  
 ==== Options ==== ==== Options ====
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 INCLUDE molecules matching ANY of the SMARTS queries (default) INCLUDE molecules matching ANY of the SMARTS queries (default)
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 INCLUDE molecules matching ALL of the SMARTS queries INCLUDE molecules matching ALL of the SMARTS queries
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 EXCLUDE molecules matching ANY of the SMARTS queries EXCLUDE molecules matching ANY of the SMARTS queries
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 EXCLUDE molecules matching ALL of the SMARTS queries EXCLUDE molecules matching ALL of the SMARTS queries
  
smartsquery.txt · Last modified: 2013/10/10 16:06 by flack