substructuresearch
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| substructuresearch [2012/10/14 07:36] – rkiss | substructuresearch [2013/02/27 14:32] (current) – rkiss | ||
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| ====== Substructure search ====== | ====== Substructure search ====== | ||
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| Substructure search identifies molecules that contains a specific fragment (substructure). | Substructure search identifies molecules that contains a specific fragment (substructure). | ||
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| If your first query does not yield enough hits, it is recommended to fine-tune your substructure search and use a more general query. If you get too many hits, you can block certain substitution positions by adding explicit hydrogens (see example in Figure). Multicomponent queries are currently not supported. | If your first query does not yield enough hits, it is recommended to fine-tune your substructure search and use a more general query. If you get too many hits, you can block certain substitution positions by adding explicit hydrogens (see example in Figure). Multicomponent queries are currently not supported. | ||
| - | ==== Options | + | ==== Option |
substructuresearch.1350200169.txt.gz · Last modified: 2012/10/14 07:36 by rkiss