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smartsquery [2013/01/14 11:23]
sanmark
smartsquery [2013/10/10 18:06] (current)
flack
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 {{:​smarts.png?​700|}} {{:​smarts.png?​700|}}
  
-The [[http://​www.daylight.com/​dayhtml/​doc/​theory/​theory.smarts.html|SMARTS]] language is designed to describe substructure patterns in molecules, and to overcome the limitations of simple substructure matching. The SMARTS query filter at [[https://​mcule.com|mcule.com]] provides nearly full SMARTS language support, based on the [[http://​ggasoftware.com/​opensource/​indigo|Indigo]] implementation of SMARTS.+The [[http://​www.daylight.com/​dayhtml/​doc/​theory/​theory.smarts.html|SMARTS]] language is designed to describe substructure patterns in molecules, and to overcome the limitations of simple substructure matching. The SMARTS query filter at [[https://​mcule.com/|mcule.com]] provides nearly full SMARTS language support, based on the [[http://​ggasoftware.com/​opensource/​indigo|Indigo]] implementation of SMARTS.
  
 Using the SMARTS query filter you can select or eliminate molecules containing specific SMARTS patterns. The filter allows multiple SMARTS queries. Molecules matching with ALL or ANY of the queries can be either included to or excluded from the result collection. Using the SMARTS query filter you can select or eliminate molecules containing specific SMARTS patterns. The filter allows multiple SMARTS queries. Molecules matching with ALL or ANY of the queries can be either included to or excluded from the result collection.
smartsquery.txt ยท Last modified: 2013/10/10 18:06 by flack