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search [2013/02/26 15:58] – rkiss | search [2013/02/26 16:09] – [How to use] rkiss | ||
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This interface was designed to quickly search the [[purchasable|Purchasable compounds collection]] of the mcule database. | This interface was designed to quickly search the [[purchasable|Purchasable compounds collection]] of the mcule database. | ||
- | 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, [[http:// |
- | The following search types are available | + | The following search types are available: |
- | **[[similaritysearch|Similarity]]** | + | **[[similaritysearch|Similarity |
- | [[similaritysearch|Similarity | + | **[[substructuresearch|Substructure |
- | **[[substructuresearch|Substructure]]** | + | **[[exactsearch|Exact searching]]** can be used to find a specific compound (e.g. a reference ligand). |
- | [[substructuresearch|Substructure searching]] can be used to find all molecules that contain a specific substructure (e.g. the main scaffold of a reference ligand). | + | ==== Results ==== |
- | **[[exactsearch|Exact]]** | + | |
+ | In case of [[similaritysearch|similarity searching]]: | ||
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- | [[exactsearch|Exact searching]] can be used to find a specific compound (e.g. a reference ligand). | + | For queries submitted by Find Chemicals Single |
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- | Queries can be drawn by the [[sketcher|molecule sketcher]], which can be hidden and reopened by clicking on the “Hide/ | + | |
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- | You can select on which [[collmanagement|collection]] | + | |
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- | The “Maximum hits” field is set to 1,000 by default. If you don't want to limit the number of results, you can delete the number from this field. Note that if you are using the [[freepackage|Free package]], the maximum number of molecules in a single collection is 10,000, which implicitly limits the “Maximum hits” | + |
search.txt · Last modified: 2013/10/10 16:05 by flack