Original Uploader

Thomasku

Get ART2A classification result showing the different origins of the vectors (v1)

Created: 17/11/08 @ 14:21:25 | Last updated: 17/11/08 @ 14:21:26

Credits: Thomasku

License: Creative Commons Attribution-Share Alike 3.0 License

This workflow load an ART2A classifcation results and creates a diagram showing the origin allocation within the different cluster or classes. This is usable for performing a chemical diversity analysis. The result is stored within an PDF which contains a diagram and a table of the classification result.

Rating: 0.0 / 5 (0 ratings) | Versions: 1 | Reviews: 0 | Comments: 0 | Citations: 0

Viewed: 25 times | Downloaded: 12 times

Original Uploader

Thomasku

Calculation of molecular descriptors for molecules loaded from database (v1)

Created: 15/11/08 @ 15:12:06 | Last updated: 15/11/08 @ 15:12:08

Credits: Thomasku

License: Creative Commons Attribution-Share Alike 3.0 License

This workflow loads iteratively molecules from a database. For each molecule the atom typse are perceived before the hydrogens are added and the aromaticity is detected. Than the QSAR worker calculates the selected descriptors. The result of this calculation is stored in database table.

Rating: 0.0 / 5 (0 ratings) | Versions: 1 | Reviews: 0 | Comments: 0 | Citations: 0

Viewed: 25 times | Downloaded: 18 times

Original Uploader

Soton sbs

multi-gridsam-gopher (v1)

Created: 11/11/08 @ 17:26:55 | Last updated: 13/11/08 @ 16:41:33

Credits: Soton sbs

License: Creative Commons Attribution-Share Alike 3.0 License

Generation of Orthologous Proteins from High-Throughput Estimation of Relationships This workflow uses GOPHER to take in two protein sequence files and generate datasets of orthologous sequence alignments. The first [seqin] sequence set is the 'queries' around which orthologous datasets are to be assembled. This is now optimised for a dataset consisting of one protein per protein-coding gene, although splice variants should be dealt with OK and treated as paralogues. The second [orthdb] ...

Rating: 3.0 / 5 (1 rating) | Versions: 1 | Reviews: 0 | Comments: 1 | Citations: 0

Viewed: 72 times | Downloaded: 0 times

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Original Uploader

Thomasku

Molecular Weight Distribution (v1)

Created: 07/11/08 @ 14:18:33 | Last updated: 07/11/08 @ 14:18:34

Credits: Thomasku

License: Creative Commons Attribution-Share Alike 3.0 License

This workflow calculates the molecular weight of molecules stored in a postgres sql database with the Pgchem::tigress chemoinformatics cardridge. The cardridge perform the molecular weight calculation. The get a moleculear weight distribution worker creates a chart of the available data.

Rating: 0.0 / 5 (0 ratings) | Versions: 1 | Reviews: 0 | Comments: 0 | Citations: 0

Viewed: 59 times | Downloaded: 38 times

Original Uploader

Thomasku

Topological Substructure Search Workflow (v1)

Created: 06/11/08 @ 16:59:02 | Last updated: 06/11/08 @ 16:59:03

Credits: Thomasku

License: Creative Commons Attribution-Share Alike 3.0 License

This workflow performs a topological substructure search. The molecules to be searched are loaded from a MDL SD file. The substructure is loaded from a SMILES (workflow input). The matched molecules are converted to CML and for the molecules which do not contain the substructure the InChI is generated.

Rating: 0.0 / 5 (0 ratings) | Versions: 1 | Reviews: 0 | Comments: 0 | Citations: 0

Viewed: 51 times | Downloaded: 39 times

Original Uploader

Thomasku

Get ART2A classification result showing the different origins of the vectors (v1)

Created: 17/11/08 @ 14:21:25 | Last updated: 17/11/08 @ 14:21:26

Credits: Thomasku

License: Creative Commons Attribution-Share Alike 3.0 License

This workflow load an ART2A classifcation results and creates a diagram showing the origin allocation within the different cluster or classes. This is usable for performing a chemical diversity analysis. The result is stored within an PDF which contains a diagram and a table of the classification result.

Rating: 0.0 / 5 (0 ratings) | Versions: 1 | Reviews: 0 | Comments: 0 | Citations: 0

Viewed: 25 times | Downloaded: 12 times

Original Uploader

Thomasku

Calculation of molecular descriptors for molecules loaded from database (v1)

Created: 15/11/08 @ 15:12:06 | Last updated: 15/11/08 @ 15:12:08

Credits: Thomasku

License: Creative Commons Attribution-Share Alike 3.0 License

This workflow loads iteratively molecules from a database. For each molecule the atom typse are perceived before the hydrogens are added and the aromaticity is detected. Than the QSAR worker calculates the selected descriptors. The result of this calculation is stored in database table.

Rating: 0.0 / 5 (0 ratings) | Versions: 1 | Reviews: 0 | Comments: 0 | Citations: 0

Viewed: 25 times | Downloaded: 18 times

Original Uploader

Thomask...

Get pathways by external reference (v2)

Created: 16/09/08 @ 11:18:51 | Last updated: 14/11/08 @ 14:21:46

Credits: Thomaskelder

License: Creative Commons Attribution-Share Alike 3.0 License

Finds pathways on WikiPathways by an external gene/protein/metabolite reference. See http://www.pathvisio.org/Help_1.1#Supported_database_systems for a list of supported database systems.

Rating: 0.0 / 5 (0 ratings) | Versions: 2 | Reviews: 0 | Comments: 0 | Citations: 0

Viewed: 150 times | Downloaded: 157 times

Original Uploader

Rory

firstwf (v1)

Created: 13/11/08 @ 20:45:09 | Last updated: 13/11/08 @ 20:45:10

Credits: Rory

License: Creative Commons Attribution-Share Alike 3.0 License

No description

Rating: 0.0 / 5 (0 ratings) | Versions: 1 | Reviews: 0 | Comments: 0 | Citations: 0

Viewed: 33 times | Downloaded: 19 times

This Workflow has no tags!

Original Uploader

Wassinki

AppendToFile (v2)

Created: 10/11/08 @ 16:36:53 | Last updated: 11/11/08 @ 15:14:43

Credits: Wassinki

License: Creative Commons Attribution-Share Alike 3.0 License

Processor to add content to a (existing)  file. The content is added to the end of the file. The inputs: Filename: the file name of a file, if the file does not exists, a new file is added Content: the string to append NewLine [default = true]: if true, a newline is added to the end of the line (useful if you want to add a record each time)   The processor supports Multi-Threading since version 2.

Rating: 0.0 / 5 (0 ratings) | Versions: 2 | Reviews: 0 | Comments: 1 | Citations: 0

Viewed: 60 times | Downloaded: 40 times

Original Uploader

Marco Roos

BioAID_DiseaseDiscovery (v1)

Created: 12/11/07 @ 22:39:04 | Last updated: 21/10/08 @ 10:44:19

Credits: Marco Roos AID

License: Creative Commons Attribution-Share Alike 3.0 License

This workflow finds disease relevant to the query string via the following steps: 1. A user query: a list of terms or boolean query - look at the Apache Lucene project for all details. E.g.: (EZH2 OR "Enhancer of Zeste" +(mutation chromatin) -clinical) 2. Retrieve documents: finds relevant documents (abstract+title) based on query (edit maxHits to change the default maximum number of documents returned; the AIDA service inside is based on Apache Lucene) 3. Discover proteins: extract...

Rating: 4.0 / 5 (2 ratings) | Versions: 1 | Reviews: 0 | Comments: 1 | Citations: 0

Viewed: 3356 times | Downloaded: 1298 times

Original Uploader

Egon Willighagen

Download from ChemSpider using Accurate Mass (v2)

Created: 26/11/07 @ 17:16:29 | Last updated: 05/02/08 @ 12:56:12

Credits: Egon Willighagen

License: Creative Commons Attribution-Share Alike 3.0 License

No description

Rating: 0.0 / 5 (0 ratings) | Versions: 2 | Reviews: 0 | Comments: 0 | Citations: 0

Viewed: 2122 times | Downloaded: 684 times

Original Uploader

Paul Fisher

HUMAN Microarray CEL file to candidate pathways (v4)

Created: 03/10/07 @ 18:35:55 | Last updated: 04/04/08 @ 12:14:21

License: Creative Commons Attribution-NoDerivs 3.0 License