Workflows

Square A List Of Numbers (1)

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Simple workflow which squares a list of numbers.

Created: 2010-03-19 | Last updated: 2010-03-19

Credits: Paul Miller

ASTM D0427-04 - Preliminary Workflow (1)

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ASTM D0427-04: Standard Test Method for Shrinkage Factors of Soils by the Mercury MethodThis a preliminary version of a ASTM D0427 Workflow. This seems like a complex workflow but it does not. A lot of services is because I'm using a basic calculator web service to do simple a math calculations (http://www.dneonline.com/calculator.asmx) This simple web service calc use only two operands to do calc in four basic operations (add, divide, multiply and substract). So it's needed intermedi...

Created: 2016-04-25

Credits: Juan Felipe Muñoz Fernández

Download Structures from PubChem given che... (1)

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This workflow takes the input file containing chemical names and returns a single SDF file of structures. The names are searched against pubchem compounds via e-search. If the compound name is found an XML file containing PubChem ID is returned.The max return compound_ID is set to 1 which could be increased. If the compound name is not found then no ID is returned.  The pubchem compound_ID is then used to download structures from PubChem.  

Created: 2011-05-24 | Last updated: 2011-05-24

Credits: Kalai Michael Gerlich

Attributions: Download Entries from PubChem

Generate Atom Signatures of molecules give... (1)

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Reference: Natural Product-likeness Score and Its Application for Prioritization of Compound Libraries Peter Ertl,* Silvio Roggo, and Ansgar Schuffenhauer Novartis Institutes for BioMedical Research, CH-4002 Basel, Switzerland http://peter-ertl.com/reprints/Ertl-JCIM-48-68-2008.pdf    The natural product likeness scorer implemented by Peter Ertl was originally devised to screen large compound libraries for natural product likeness in drug designing studies. His work is re...

Created: 2011-05-13 | Last updated: 2011-05-13

Credits: Kalai

[untitled] (1)

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This workflow allows the user to search for processes that are involved with a certain gene. Using microarray-files (CEL-files), consisting of wild type and KO mice to which a stimulant is induced, the user can get an idea of the processes involved. (This is done using the global test and the literature weighted global test.) The results are then given as a text-file. Warning: workflow is not working (needs some revisions), all input is currently hardcoded! (You will have to change the file...

Created: 2011-04-26 | Last updated: 2011-04-26

Credits: Dennis Leenheer