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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, SMILES strings or InChIs. |
- | **[[exactsearch|“Exact | + | The following |
- | **[[similaritysearch|“Similarity | + | **[[similaritysearch|Similarity]]** |
+ | |||
+ | [[similaritysearch|Similarity searching]] | ||
+ | |||
+ | **[[substructuresearch|Substructure]]** | ||
+ | |||
+ | [[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]]** | ||
+ | |||
+ | [[exactsearch|Exact searching]] can be used to find a specific compound (e.g. a reference ligand). | ||
- | **[[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