online documentation

This page is read only. You can view the source, but not change it. Ask your administrator if you think this is wrong.
====== FREE PACKAGE ======


After registration, all mcule users get immediate access to the Free package. All features of the Free package are included in the other packages. Here is a list of features and tools that are available in the Free package:

===== Tools =====

  * [[exactsearch|Exact search]]

  * [[bulkexactsearch|Bulk exact search]]

  * [[similaritysearch|Similarity search]]

  * [[multisimilaritysearch|Multi similarity search]]

  * [[substructuresearch|Substructure search]]

  * [[basicpropertyfilter|Basic property filter]]

  * [[dockingvina|Docking (Vina)]]

  * [[diversitysel|Diversity selection]]

  * [[sampler|Sampler]]

===== Features =====

  * [[purchasable|Purchasable compounds collection]] (> 5M compounds, carefully curated, up-to-date)

  * [[delivery|Compound ordering and delivery]] (fast quote, single package, large collections, reformatting)

  * [[collmanagement|Collection management]] (create, add, remove, export molecules)

  * [[nci|NCI]] (National Cancer Institute) screening collection (coming soon!)

  * [[chembl|ChEMBL]] collection (reference molecules with activity data) (coming soon!)

===== Features & limitations of the free plan =====

[[https://mcule.com/pricing/|Learn more »]]
  

  * Physicochemical properties: Basic

  * Docking package: 500 input molecules per month

  * Diversity selection: 10,000 input molecules per month

  * REOS filter: Not available

  * SMARTS filter: Not available

  * Product filter: Not available

  * 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