freepackage
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freepackage [2013/10/11 13:12] – rkiss | freepackage [2024/04/09 08:37] (current) – rkiss | ||
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* [[similaritysearch|Similarity search]] | * [[similaritysearch|Similarity search]] | ||
+ | |||
+ | * [[multisimilaritysearch|Multi similarity search]] | ||
* [[substructuresearch|Substructure search]] | * [[substructuresearch|Substructure search]] | ||
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* [[diversitysel|Diversity selection]] | * [[diversitysel|Diversity selection]] | ||
- | |||
- | * [[smartsquery|SMARTS query filter]] | ||
* [[sampler|Sampler]] | * [[sampler|Sampler]] | ||
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===== 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, | ||
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* [[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: 500 input molecules per month |
- | * SMARTS query filter: max 5 queries | + | * Diversity selection: 10,000 input molecules |
- | * SMARTS query filter: | + | * REOS filter: |
- | * Docking (Vina): max 500 input molecules per month | + | * SMARTS filter: Not available |
- | * Docking (Vina): max 1 filter | + | * Product |
- | + | ||
- | * 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) | * 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 | ||
+ | |||
+ | * Property calculator: Basic | ||
+ | | ||
+ | * Toxicity checker: Not available | ||
+ | |||
+ | * 1-Click Applications history: 3 |
freepackage.1381497151.txt.gz · Last modified: 2013/10/11 13:12 by rkiss