tools
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tools [2012/10/11 22:06] – created rkiss | tools [2013/01/13 17:42] – new design / text revision sanmark | ||
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- | Mcule provides several drug discovery tools that can help to identify drug candidates in the mcule database | + | Mcule provides several drug discovery tools that can help to identify drug candidates in the mcule database. Each tool can be used as a workflow step when setting up a [[http:// |
**[[Exactsearch|Exact search]]** | **[[Exactsearch|Exact search]]** | ||
- | **[[Bulkexactsearch|Bulk exact search]]** | + | |
+ | **[[Bulkexactsearch|Bulk exact search | ||
**[[Similaritysearch|Similarity search]]** | **[[Similaritysearch|Similarity search]]** | ||
+ | |||
**[[Diversitysel|Diversity selection]]** | **[[Diversitysel|Diversity selection]]** | ||
- | **[[SMARTSquery|SMARTS query filter]]** | + | |
**[[Substructuresearch|Substructure search]]** | **[[Substructuresearch|Substructure search]]** | ||
- | **[[REOS|REOS filter]]** | + | |
+ | **[[SMARTSquery|SMARTS query filter]]** | ||
+ | |||
+ | **[[REOS|REOS filter | ||
**[[Dockingvina|Docking (Vina)]]** | **[[Dockingvina|Docking (Vina)]]** | ||
- | **[[Propertyfilter|Property | + | |
+ | **[[mculepropertyfilter|mcule property | ||
+ | |||
+ | **[[Chemaxonpropertyfilter|ChemAxon property filter]]** | ||
**[[Chemaxonpropcalc|ChemAxon property calculators]]** | **[[Chemaxonpropcalc|ChemAxon property calculators]]** | ||
+ | |||
**[[FTrees|BioSolveIT FTrees Visual Similarities]]** | **[[FTrees|BioSolveIT FTrees Visual Similarities]]** | ||
- | **[[Sampler|Sampler]]** | ||
+ | **[[Productfilter|Product filter]]** | ||
+ | |||
+ | **[[Sampler|Sampler]]** |
tools.txt · Last modified: 2024/04/09 08:35 by rkiss