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search [2013/02/26 15:50] – rkiss | search [2013/02/26 16:09] – [How to use] rkiss | ||
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=== Find Chemicals - Single === | === Find Chemicals - Single === | ||
- | quickly | + | This interface was designed to quickly |
- | Under the “find chemicals” tab three simple search types are available: **[[exactsearch|“Exact”]]**, **[[similaritysearch|“Similarity”]]** and **[[substructuresearch|“Substructure”]]** searches. | + | The query molecule can be specified by the [[sketcher|Drawer]] or by entering mcule IDs, [[http:// |
- | **[[exactsearch|“Exact | + | The following |
- | **[[similaritysearch|“Similarity | + | **[[similaritysearch|Similarity |
- | **[[substructuresearch|“Substructure | + | **[[substructuresearch|Substructure |
- | Queries can be drawn by the [[sketcher|molecule sketcher]], which can be hidden and reopened by clicking on the “Hide/ | + | **[[exactsearch|Exact searching]]** can be used to find a specific compound (e.g. a reference ligand). |
- | You can select on which [[collmanagement|collection]] the search will be performed in the “Input collection” field. By default, the [[purchasable|“Purchasable compounds collection”]] is set as input collection. Other collections (e.g. public collections or your previously created collections) can be also selected. | + | ==== Results ==== |
- | 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 | + | * Molecules satisfying search criteria |
+ | In case of [[similaritysearch|similarity searching]]: | ||
+ | * Tanimoto coefficient showing the similarity between the query and the target molecules will be displayed as a single column in Table and List views | ||
+ | * Hits will be ordered | ||
+ | |||
+ | For queries submitted by Find Chemicals Single a maximum of 1000 hits will be displayed. If you would like to get more than 1000 hits, you can use the Workflow Builder with the. Please note however, |
search.txt · Last modified: 2013/10/10 16:05 by flack