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===== When to use ===== | ===== When to use ===== | ||
- | [[https:// | + | [[https:// |
- | was primarily designed for fast searching of the [[purchasable|Purchasable compounds collection]] of the mcule database. | + | ===== How to use ===== |
- | Looking for a single compound, a list of compounds or some close analogs of a compound? This is exactly what Find Chemicals has been designed for. | + | [[https:// |
- | ===== How to use ===== | + | === Find Chemicals - Single |
+ | |||
+ | This interface was designed | ||
+ | |||
+ | The query molecule can be specified by the [[sketcher|Drawer]] or by entering mcule IDs, SMILES strings or InChIs. | ||
+ | |||
+ | The following search types are available | ||
+ | |||
+ | **[[similaritysearch|Similarity]]** | ||
+ | |||
+ | [[similaritysearch|Similarity searching]] can be used to retrieve close analogs of a query molecule (e.g. an [[http:// | ||
+ | |||
+ | **[[substructuresearch|Substructure]]** | ||
- | Under the “find chemicals” tab three simple search types are available: **[[exactsearch|“Exact”]]**, | + | [[substructuresearch|Substructure |
- | **[[exactsearch|“Exact search”]]** can be useful when looking for a specific molecule (e.g. a reference ligand). | + | **[[exactsearch|Exact]]** |
- | **[[similaritysearch|“Similarity search”]]** can retrieve close analogs of a query molecule | + | [[exactsearch|Exact searching]] can be used to find a specific compound |
- | **[[substructuresearch|“Substructure search”]]** can be used to find all molecules that contain a specific substructure (e.g. the main scaffold of a reference ligand). | ||
Queries can be drawn by the [[sketcher|molecule sketcher]], which can be hidden and reopened by clicking on the “Hide/ | Queries can be drawn by the [[sketcher|molecule sketcher]], which can be hidden and reopened by clicking on the “Hide/ |
search.txt · Last modified: 2013/10/10 16:05 by flack