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freepackage [2013/10/17 16:37] sanmarkfreepackage [2014/01/15 17:27] flack
Line 11: Line 11:
  
   * [[similaritysearch|Similarity search]]   * [[similaritysearch|Similarity search]]
 +
 +  * [[multisimilaritysearch|Multi similarity search]]
  
   * [[substructuresearch|Substructure search]]   * [[substructuresearch|Substructure search]]
Line 19: Line 21:
  
   * [[diversitysel|Diversity selection]]   * [[diversitysel|Diversity selection]]
- 
-  * [[smartsquery|SMARTS query filter]] 
  
   * [[sampler|Sampler]]   * [[sampler|Sampler]]
Line 36: Line 36:
   * [[chembl|ChEMBL]] collection (reference molecules with activity data) (coming soon!)   * [[chembl|ChEMBL]] collection (reference molecules with activity data) (coming soon!)
  
-===== Limitations =====+===== Features & limitations of the free plan =====
  
-  * Max nb of collections100+  * Instant QuoteAvailable 
 +   
 +  * Product filter: Not available
  
-  * Max nb of molecules in one collection10,000+  * FTrees Visual SimilaritiesNot available 
 +   
 +  * Physicochemical properties: Basic
  
-  * Max nb of parallel running searches/screens5+  * Docking package500 input molecules per month
  
-  * SMARTS query filtermax 5 queries per filter+  * Diversity selection10,000 input molecules per month
  
-  * SMARTS query filtermax 1 filter per workflow+  * Max nb of collections20
  
-  * Docking (Vina): max 500 input molecules per month+  * Max nb of molecules in one collection: 1,000
  
-  * Docking (Vina): max 1 filter per workflow+  * REOS filter: Not available
  
-  * Diversity selectionmax 10,000 input molecules per month+  * SMARTS filter: Not available 
 + 
 +  * Property calculator: Basic 
 + 
 +  * Toxicity checker: Not available 
 + 
 +  * 1-Click Scaffold Hop - input collection size: 10,000 
 + 
 +  * 1-Click Scaffold Hop - hits displayed: 5 (3 for anonymous users) 
 + 
 +  * 1-Click Applications history: 3
  
   * Molecule upload: max 500 molecules (if some of them are delete, new molecules can be uploaded)   * Molecule upload: max 500 molecules (if some of them are delete, new molecules can be uploaded)
  
 +  * Collections: 20
 +
 +  * Collection size: 1,000
 +
 +  * Docking target upload: Not available
 +
 +  * Docking input 3D generation: Basic
freepackage.txt · Last modified: 2024/04/09 08:37 by rkiss