tools
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tools [2012/10/11 22:07] – rkiss | tools [2013/02/27 14:13] – rkiss | ||
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+ | 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:// | ||
- | Mcule provides several drug discovery tools that can help to identify drug candidates in the mcule database (link). Each tool can be used as a workflow step when setting up a virtual screening workflow under the “Screen” tab. These tools are either provided for free (link to free package) or through subscriptions (link). You can see a list of your available tools under the “Screen” tab (link) by clicking on the “Select workflow step” field (set to “Exact search” by default). Here is a list of the currently available tools at mcule.com: | + | **[[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 filter]]** |
+ | |||
+ | **[[Chemaxonpropertyfilter|ChemAxon property | ||
**[[Chemaxonpropcalc|ChemAxon property calculators]]** | **[[Chemaxonpropcalc|ChemAxon property calculators]]** | ||
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**[[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