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usecaseprefilter [2013/10/11 08:40] rkissusecaseprefilter [2013/10/11 12:56] rkiss
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 ====== PREFILTER THE MCULE DATABASE (design a screening library) ====== ====== PREFILTER THE MCULE DATABASE (design a screening library) ======
  
-1. Go to **[[https://mcule.com/search/screen/?template=diverse-library-design|HIT IDENTIFICATION / DIVERSE LIBRARY DESIGN]]** to prepare a diverse subset of the Mcule database.+1. Go to **[[http://mcule.com/search/screen/?template=diverse-library-design|HIT IDENTIFICATION / DIVERSE LIBRARY DESIGN]]** to prepare a diverse subset of the Mcule database.
  
-2. You can adjust the template or build **[[https://mcule.com/search/screen/|custom workflows]]** by starting from scratch.+2. You can adjust the template or build **[[http://mcule.com/search/screen/|custom workflows]]** by starting from scratch.
  
 3. You might run your workflow on all **[[purchasable|Purchasable compounds]]** or choose any other molecule collections as input. 3. You might run your workflow on all **[[purchasable|Purchasable compounds]]** or choose any other molecule collections as input.
  
-4. In the workflow you can include various filters. For example, a reasonable prefiltering workflow might include **[[|Basic-]]** or **[[|Advanced Property filter]]**, **[[smartsquery|SMARTS filter]]**, **[[sampler|Sampler]]**, **[[productfilter|Product filter]]** and **[[diversitysel|Diversity selection]]**.+4. In the workflow you can include various filters. For example, a reasonable prefiltering workflow might include **[[basicpropertyfilter|Basic-]]** or **[[advancedpropertyfilter|Advanced Property filter]]**, **[[smartsquery|SMARTS filter]]**, **[[sampler|Sampler]]**, **[[productfilter|Product filter]]** and **[[diversitysel|Diversity selection]]**.
  
 5. Optionally you can give a **"Name"**, add **"Description"** to the output collection and defined the maximum number of output entries 5. Optionally you can give a **"Name"**, add **"Description"** to the output collection and defined the maximum number of output entries
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 **__[[usecases|Go back to use cases >>]]__** **__[[usecases|Go back to use cases >>]]__**
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usecaseprefilter.txt · Last modified: 2014/01/01 15:52 by flack