Differences

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--- freepackage [2012/10/11 23:21] – created rkiss
+++ freepackage [2024/04/09 08:37] (current) – rkiss
@@ Line 1: / Line 1: @@
-====== Free package ======
+====== FREE PACKAGE ======
@@ Line 6: / Line 6: @@
 ===== Tools =====
-- Exact search (link mindegyikhez)
+  * [[exactsearch|Exact search]]
-- Bulk exact search
-- Similarity search
+  * [[bulkexactsearch|Bulk exact search]]
-- Substructure search
-- Property filter
+  * [[similaritysearch|Similarity search]]
-- Docking (Vina)
-- Diversity selection
+  * [[multisimilaritysearch|Multi similarity search]]
-- SMARTS query filter
-- Sampler
+  * [[substructuresearch|Substructure search]]
+  * [[basicpropertyfilter|Basic property filter]]
+  * [[dockingvina|Docking (Vina)]]
+  * [[diversitysel|Diversity selection]]
+  * [[sampler|Sampler]]
 ===== Features =====
-- Purchasable compounds collection (> 4M compounds, carefully curated, up-to-date)
+  * [[purchasable|Purchasable compounds collection]] (> 5M compounds, carefully curated, up-to-date)
-- Compound ordering and delivery (fast quote, single package, large collections, reformatting)
-- Collection management (link) (create, add, remove, export molecules)
+  * [[delivery|Compound ordering and delivery]] (fast quote, single package, large collections, reformatting)
-- NCI (National Cancer Institute) screening collection (link) (coming soon!)
-- ChEMBL collection (link) (reference molecules with activity data) (coming soon!)
+  * [[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
-===== Limitations =====
+  * Property calculator: Basic
+  * Toxicity checker: Not available
-- Max nb of collections: 100
+  * 1-Click Applications history: 3
-- Max nb of molecules in one collection: 10,000
-- Max nb of parallel running searches/screens: 5
-- SMARTS query filter: max 5 queries per filter
-- SMARTS query filter: max 1 filter per workflow
-- Docking (Vina): max 500 input molecules per month
-- Docking (Vina): max 1 filter per workflow
-- Diversity selection: max 10,000 input molecules per month