User Tools
smartsquery
Differences
This shows you the differences between two versions of the page.
| Both sides previous revision Previous revision Next revision | Previous revision | ||
|
smartsquery [2012/10/15 09:58] rkiss |
smartsquery [2013/10/10 18:06] flack |
||
|---|---|---|---|
| Line 1: | Line 1: | ||
| ====== SMARTS query filter ====== | ====== SMARTS query filter ====== | ||
| - | {{:smarts.png?800|}} | + | {{: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
Page Tools
Except where otherwise noted, content on this wiki is licensed under the following license: CC Attribution-Noncommercial-Share Alike 4.0 International
