search
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search [2013/01/13 23:08] – sanmark | search [2013/02/26 16:09] – [How to use] rkiss | ||
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- | ====== Find chemicals | + | ====== Find Chemicals |
- | {{:search3.png?700|}} | + | **[[http://youtu.be/ |
- | Under the “find chemiclas” tab three simple search types are available: **[[exactsearch|“Exact”]]**, | + | {{:findchem3.png? |
- | **[[exactsearch|“Exact search”]]** can be useful when looking for a specific molecule (e.g. a reference ligand). | + | Extremely fast and easy-to-use web interface that helps to find purchasable chemicals in the high quality database of mcule. |
- | **[[similaritysearch|“Similarity search”]]** can retrieve close analogs of a query molecule (e.g. an [[http:// | + | ===== When to use ===== |
- | **[[substructuresearch|“Substructure search”]]** can be used to find all molecules that contain a specific | + | [[https:// |
- | Queries can be drawn by the [[sketcher|molecule sketcher]], which can be hidden and reopened by clicking on the “Hide/ | + | ===== How to use ===== |
- | 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. | + | [[https:// |
- | 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 | + | === Find Chemicals - Single === |
+ | |||
+ | This interface was designed | ||
+ | |||
+ | The query molecule can be specified by the [[sketcher|Drawer]] or by entering mcule IDs, [[http:// | ||
+ | |||
+ | The following search types are available: | ||
+ | |||
+ | **[[similaritysearch|Similarity searching]]** can be used to retrieve close analogs of a query molecule (e.g. an [[http:// | ||
+ | |||
+ | **[[substructuresearch|Substructure searching]]** can be used to find all molecules that contain a specific substructure (e.g. the main scaffold of a reference ligand). | ||
+ | |||
+ | **[[exactsearch|Exact searching]]** can be used to find a specific compound (e.g. a reference ligand). | ||
+ | |||
+ | ==== Results ==== | ||
+ | |||
+ | * 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