freepackage
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freepackage [2014/01/15 17:14] – flack | freepackage [2014/01/15 17:28] – [Features & limitations of the free plan] flack | ||
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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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* [[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 ===== |
+ | |||
+ | [[https:// | ||
+ | |||
+ | * Instant Quote: Available | ||
+ | |||
+ | * Product filter: Not available | ||
+ | |||
+ | * FTrees Visual Similarities: | ||
+ | |||
+ | * Physicochemical properties: Basic | ||
+ | |||
+ | * Docking package: 500 input molecules per month | ||
+ | |||
+ | * Diversity selection: 10,000 input molecules per month | ||
* Max nb of collections: | * Max nb of collections: | ||
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* Max nb of molecules in one collection: 1,000 | * Max nb of molecules in one collection: 1,000 | ||
- | * Max nb of parallel running searches/ | + | * REOS filter: Not available |
- | * SMARTS | + | * SMARTS filter: |
- | * SMARTS query filter: 0 | + | * Property calculator: Basic |
- | * Docking (Vina): max 500 input molecules per month | + | * Toxicity checker: Not available |
- | * Docking (Vina): max 1 filter per workflow | + | * 1-Click Scaffold Hop - input collection size: 10,000 |
- | * Diversity selection: max 10,000 input molecules per month | + | * 1-Click Scaffold Hop - hits displayed: 5 (3 for anonymous users) |
+ | |||
+ | * 1-Click Applications history: 3 | ||
* 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 | ||
+ | |||
+ | * Docking target upload: Not available | ||
+ | |||
+ | * Docking input 3D generation: Basic |
freepackage.txt · Last modified: 2024/04/09 08:37 by rkiss