freepackage
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freepackage [2012/10/11 23:21] – created rkiss | freepackage [2024/04/09 08:37] (current) – rkiss | ||
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===== Tools ===== | ===== Tools ===== | ||
- | - Exact search | + | * [[exactsearch|Exact search]] |
- | - Bulk exact search | + | |
- | - Similarity search | + | * [[bulkexactsearch|Bulk exact search]] |
- | - Substructure search | + | |
- | - Property | + | * [[similaritysearch|Similarity search]] |
- | - Docking (Vina) | + | |
- | - Diversity selection | + | * [[multisimilaritysearch|Multi similarity search]] |
- | - SMARTS query filter | + | |
- | - Sampler | + | * [[substructuresearch|Substructure search]] |
+ | |||
+ | * [[basicpropertyfilter|Basic property | ||
+ | |||
+ | * [[dockingvina|Docking (Vina)]] | ||
+ | |||
+ | * [[diversitysel|Diversity selection]] | ||
+ | |||
+ | * [[sampler|Sampler]] | ||
===== Features ===== | ===== 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, | + | |
- | - Collection management | + | * [[delivery|Compound ordering and delivery]] (fast quote, single package, large collections, |
- | - NCI (National Cancer Institute) screening collection | + | |
- | - ChEMBL collection | + | * [[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:// | ||
+ | |||
+ | |||
+ | * 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: | ||
+ | |||
+ | * 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: | + | * 1-Click Applications history: 3 |
- | - Max nb of molecules in one collection: 10,000 | + | |
- | - Max nb of parallel running searches/ | + | |
- | - 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 | + |
freepackage.txt · Last modified: 2024/04/09 08:37 by rkiss