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freepackage [2012/10/14 19:44] – rkissfreepackage [2024/04/09 08:37] (current) – rkiss
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-====== Free package ======+====== FREE PACKAGE ======
  
  
Line 6: Line 6:
 ===== 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 collections: 100+[[https://mcule.com/pricing/|Learn more »]] 
 +  
  
-- Max nb of molecules in one collection: 10,000+  * Physicochemical properties: Basic
  
-- Max nb of parallel running searches/screens: 5+  * Docking package: 500 input molecules per month
  
-- SMARTS query filter: max 5 queries per filter+  * Diversity selection: 10,000 input molecules per month
  
-- SMARTS query filter: max 1 filter per workflow+  * REOS filter: Not available
  
-- Docking (Vina): max 500 input molecules per month+  * SMARTS filter: Not available
  
-- Docking (Vina): max 1 filter per workflow+  * Product filter: Not available
  
-- Diversity selection: max 10,000 input molecules per month+  * Molecule upload: max 500 molecules (if some of them are delete, new molecules can be uploaded) 
 + 
 +  * Collections: 20 
 + 
 +  * Collection size: 1,000 
 + 
 +  * Instant Quote: Not Available 
 + 
 +  * Docking target upload: Not available 
 + 
 +  * Docking input 3D generation: Basic 
 + 
 +  * Property calculator: Basic 
 +   
 +  * Toxicity checker: Not available 
 + 
 +  * 1-Click Applications history: 3
freepackage.1350243872.txt.gz · Last modified: 2012/10/14 19:44 by rkiss