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freepackage [2012/10/14 19:44] rkissfreepackage [2025/04/27 12:56] (current) – [Features & limitations of the free plan] flack
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-====== Free package ======+====== FREE PACKAGE ======
  
  
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 ===== Tools ===== ===== Tools =====
  
-[[exactsearch|Exact search]]+  * [[exactsearch|Exact search]]
  
-[[bulkexactsearch|Bulk exact search]]+  * [[bulkexactsearch|Bulk exact search]]
  
-[[similaritysearch|Similarity search]]+  * [[similaritysearch|Similarity search]]
  
-[[substructuresearch|Substructure search]]+  * [[multisimilaritysearch|Multi similarity search]]
  
-[[propertyfilter|Property filter]]+  * [[substructuresearch|Substructure search]]
  
-[[dockingvina|Docking (Vina)]]+  * [[basicpropertyfilter|Basic property filter]]
  
-[[diversitysel|Diversity selection]]+  * [[dockingvina|Docking (Vina)]]
  
-[[smartsquery|SMARTS query filter]]+  * [[diversitysel|Diversity selection]]
  
-[[sampler|Sampler]]+  * [[sampler|Sampler]]
  
 ===== Features ===== ===== Features =====
  
-[[purchasable|Purchasable compounds collection]] (> 4M compounds, carefully curated, up-to-date)+  * [[purchasable|Purchasable compounds collection]] (> 5M compounds, carefully curated, up-to-date)
  
-[[delivery|Compound ordering and delivery]] (fast quote, single package, large collections, reformatting)+  * [[delivery|Compound ordering and delivery]] (fast quote, single package, large collections, reformatting)
  
-[[collmanagement|Collection management]] (create, add, remove, export molecules)+  * [[collmanagement|Collection management]] (create, add, remove, export molecules)
  
-[[nci|NCI]] (National Cancer Institute) screening collection (coming soon!)+  * [[nci|NCI]] (National Cancer Institute) screening collection (coming soon!)
  
-[[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+[[https://mcule.com/pricing/|Learn more »]] 
 +  
  
-- Max nb of molecules in one collection10,000+  * Physicochemical propertiesBasic
  
-- Max nb of parallel running searches/screens5+  * Docking package3000 input molecules per month
  
-- SMARTS query filtermax 5 queries per filter+  * Diversity selection300,000 input molecules per month
  
-- SMARTS query filter: max 1 filter per workflow+  * REOS filter: Available
  
-- Docking (Vina)max 500 input molecules per month+  * SMARTS filterAvailable
  
-- Docking (Vina): max filter per workflow+  * Product filter: Not available 
 + 
 +  * Molecule upload: max 3000 molecules (if some of them are delete, new molecules can be uploaded) 
 + 
 +  * Collections100 
 + 
 +  * Collection size: 10,000 
 + 
 +  * Instant Quote: Available 
 + 
 +  * Docking target upload: Available 
 + 
 +  * Property calculator: Basic 
 +   
 +  * Toxicity checker: Available 
 + 
 +  * 1-Click Applications history: 100 
 + 
 +  * 1-Click Docking: 100 / month
  
-- Diversity selection: max 10,000 input molecules per month 
freepackage.1350243872.txt.gz · Last modified: 2012/10/14 19:44 by rkiss