User Tools

Site Tools


freepackage

Differences

This shows you the differences between two versions of the page.

Link to this comparison view

Both sides previous revisionPrevious revision
Next revision
Previous revision
freepackage [2014/01/15 17:15] flackfreepackage [2025/04/27 12:56] (current) – [Features & limitations of the free plan] 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 ===== 
 + 
 +[[https://mcule.com/pricing/|Learn more »]] 
 +   
 + 
 +  * Physicochemical properties: Basic 
 + 
 +  * Docking package: 3000 input molecules per month 
 + 
 +  * Diversity selection: 300,000 input molecules per month 
 + 
 +  * REOS filter: Available 
 + 
 +  * SMARTS filter: Available 
 + 
 +  * Product filter: Not available
  
-  * Max nb of collections20+  * Molecule uploadmax 3000 molecules (if some of them are delete, new molecules can be uploaded)
  
-  * Max nb of molecules in one collection1,000+  * Collections100
  
-  * Max nb of parallel running searches/screens3+  * Collection size10,000
  
-  * SMARTS query filters per workflow +  * Instant QuoteAvailable
-  *  +
-  * SMARTS queries per filter: 5+
  
-  * Docking (Vina)max 500 input molecules per month+  * Docking target uploadAvailable
  
-  * Docking (Vina)max 1 filter per workflow+  * Property calculatorBasic 
 +   
 +  * Toxicity checker: Available
  
-  * Diversity selectionmax 10,000 input molecules per month+  * 1-Click Applications history100
  
-  * Molecule uploadmax 500 molecules (if some of them are delete, new molecules can be uploaded)+  * 1-Click Docking100 / month
  
freepackage.1389806146.txt.gz · Last modified: 2014/01/15 17:15 by flack