freepackage
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freepackage [2012/10/14 19:44] – rkiss | freepackage [2025/04/27 12:56] (current) – [Features & limitations of the free plan] flack | ||
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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 | + | * [[multisimilaritysearch|Multi similarity |
- | - [[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, | + | * [[delivery|Compound ordering and delivery]] (fast quote, single package, large collections, |
- | - [[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:// |
+ | | ||
- | - Max nb of molecules in one collection: 10,000 | + | * Physicochemical properties: Basic |
- | - Max nb of parallel running searches/ | + | * Docking package: 3000 input molecules per month |
- | - SMARTS query filter: max 5 queries | + | * Diversity selection: 300,000 input molecules |
- | - SMARTS query filter: | + | * REOS filter: |
- | - Docking (Vina): max 500 input molecules per month | + | * SMARTS filter: Available |
- | - Docking | + | * Product filter: Not available |
+ | |||
+ | * Molecule upload: max 3000 molecules | ||
+ | |||
+ | * Collections: 100 | ||
+ | |||
+ | * 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