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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

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

Workflow M1 Exact 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 M1 which matches fully specified molecules on the basis of their canonical representations.

Created: 2010-06-03

Credits: User Paul Dobson

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

Workflow C1 Combined Workflow (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 algorithms M1-M5 in one workflow, yielding a sparse matrix of matches annotated by match types.

Created: 2010-06-03 | Last updated: 2010-06-03

Credits: User Paul Dobson

RapidMiner
Uploader
2441?size=60x60 Fr Haddock

Workflow Association rules as examples (1)

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Uses Groovy scripting to lay out rules and their support metrics as examples.

Created: 2010-06-02

RapidMiner
Uploader
1803?size=60x60 Simon Knoll

Workflow CamelCases (1)

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this process splits up camelcases

Created: 2010-06-02

RapidMiner
Uploader
1070?size=60x60 De Ingo Mierswa

Workflow Creation of New Attribute Depending on Val... (1)

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The process shows the usage of the operator "Generate Attributes" in combination with an "if - then - else" condition and nominal values. The values "value0" and "value1" are mapped to "T1", other values are mapped to "T2" for the new attribute.

Created: 2010-06-01

RapidMiner
Uploader
Avatar Andrea coletta

Workflow Linear Regression of Italian bookshops se... (1)

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Someone could help me? Why the correlation between the actual value and the predictive value of the attribute "Quantita" is so low?

Created: 2010-05-28

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