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469?size=60x60 Gb Paolo
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Blob Janus provenance graph (RDF)

Created: 2010-06-08 23:02:53 | Last updated: 2010-06-09 22:48:46

Credits: User Paolo

License: Creative Commons Attribution-Share Alike 3.0 Unported License

RDF instance file containing the entire provenance graph for once run of the PC1 mockup workflow. The RDF graph complies with the Janus ontology, which can be viewed here Caveat: implementation still under testing, file may still contain bugs  

File type: RDF data

Comments: 0 | Viewed: 82 times | Downloaded: 42 times

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RapidMiner
Uploader
1070?size=60x60 De Ingo Mierswa

Workflow Transform Attribute Names to lower Case (S... (1)

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This process uses a Script operator which transforms the attribute names of the input example set into lower case.

Created: 2010-06-06

RapidMiner
Uploader
1070?size=60x60 De Ingo Mierswa

Workflow Transform Attribute Names to Upper Case (S... (1)

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This process uses a Script operator which transforms the attribute names of the input example set into UPPER case.

Created: 2010-06-06

RapidMiner
Uploader
1069?size=60x60 De Sebastian land

Workflow Prepending common prefix to attributes (1)

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This process shows how one can add a common prefix to a subset of attributes. First a subset might be defined by the attribute set selection parameters of the rename by replacing operator. Then one can make use of the capturing group functionality of regular expressions to insert the original name into the replacement.

Created: 2010-06-04

RapidMiner
Uploader
1069?size=60x60 De Sebastian land

Workflow Combining nominal attributes with missing (1)

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This process will show how one can combine nominal values of attributes that contain missing values. A generate attribute operator is used and hence forbidden characters must first be replaced. After this, a condition in the generation ensures that no question mark (standing for missing value) will be shown in the result, if any of the two combined attributes is known.

Created: 2010-06-04

Creator
76?size=60x60 Gb Paul Dobson
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Pack Mapping Metabolites for Metabolic Network Reconstruc...


Created: 2010-06-03 11:43:43 | Last updated: 2010-06-03 11:47:16

The process of metabolic network reconstructions typically begins with the task of collating existing information. For metabolites this poses a relatively straight forward set of cheminformatics problems. These problems include finding identical structures across sources, which is trivial, but also structures that differ due to idiosyncrasies of the sources or annotators. This includes charge differences, varying stereochemistry, tautomers, and so forth. Workflows in this pack allow sets of ...

6 items in this pack

Comments: 0 | Viewed: 86 times | Downloaded: 41 times

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Pipeline Pilot
Uploader
76?size=60x60 Gb Paul Dobson

Workflow M5 Charge Matching (1)

The process of metabolic network reconstructions typically begins with the task of collating existing information. For metabolites this poses a relatively straight forward set of cheminformatics problems. This workflow implements matching algorithm M5 which ionises molecules at pH 7 prior to matching, restores original structures.

Created: 2010-06-03

Credits: User Paul Dobson

Pipeline Pilot
Uploader
76?size=60x60 Gb Paul Dobson

Workflow M4 Tautomer Matching (1)

The process of metabolic network reconstructions typically begins with the task of collating existing information. For metabolites this poses a relatively straight forward set of cheminformatics problems. This workflow implements matching algorithm M4 which generates canonical tautomers prior to matching, matches, then restores original structures.

Created: 2010-06-03

Credits: User Paul Dobson

Pipeline Pilot
Uploader
76?size=60x60 Gb Paul Dobson

Workflow M3 Non-stereo Matching (1)

The process of metabolic network reconstructions typically begins with the task of collating existing information. For metabolites this poses a relatively straight forward set of cheminformatics problems. This workflow implements matching algorithm M3 which strips stereochemical information from molecules, performs exact matching, and restores stereochemistry.

Created: 2010-06-03

Credits: User Paul Dobson

Pipeline Pilot
Uploader
76?size=60x60 Gb Paul Dobson

Workflow M2 Similarity Matching (1)

The process of metabolic network reconstructions typically begins with the task of collating existing information. For metabolites this poses a relatively straight forward set of cheminformatics problems. This workflow implements matching algorithm M2 which reads molecules from two sources and produces clusters of highly similar molecules.

Created: 2010-06-03

Credits: User Paul Dobson

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