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tools [2012/10/11 22:07] rkisstools [2013/10/10 11:26] rkiss
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-====== Tools ======+====== WORKFLOW STEPS (Drug discovery tools) ======
  
- +In the **[[screen|Workflow Builder]]**, you can use several drug discovery tools for **[[hitidentification|hit identification]]**They can be added as individual workflow steps which will be executed sequentiallyDepending on your **[[http://mcule.com/pricing|Price Plan]]** you can access different tools (more info on the **[[freepackage|free package]]** and the **[[subscriptionpackages|subscription packages]]**). Here is a list of the currently available workflow steps:
-Mcule provides several drug discovery tools that can help to identify drug candidates in the mcule database (link)Each tool can be used as workflow step when setting up a virtual screening workflow under the “Screen” tabThese 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]]**
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 **[[Diversitysel|Diversity selection]]** **[[Diversitysel|Diversity selection]]**
- 
-**[[SMARTSquery|SMARTS query filter]]** 
  
 **[[Substructuresearch|Substructure search]]** **[[Substructuresearch|Substructure search]]**
 +
 +**[[SMARTSquery|SMARTS query filter]]**
  
 **[[REOS|REOS filter]]** **[[REOS|REOS filter]]**
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 **[[Dockingvina|Docking (Vina)]]** **[[Dockingvina|Docking (Vina)]]**
  
-**[[Propertyfilter|Property filter]]**+**[[basicpropertyfilter|Basic property filter]]** 
 + 
 +**[[advancedpropertyfilter|Advanced property filter]]**
  
 **[[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