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comparison CADDSuite-1.5/galaxyconfigs/tools/FeatureSelector.xml @ 7:bfab27640f5e draft

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CADDSuite version 1.5
author Marcel Schumann <schumann.marcel@gmail.com>
date Tue, 24 Jul 2012 11:13:59 -0400
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6:decca54699e3 7:bfab27640f5e
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2 <!--This is a configuration file for the integration of a CADDSuite tool into Galaxy (http://usegalaxy.org). This file was automatically generated using GalaxyConfigGenerator, so do not bother to make too many manual modifications.-->
3 <tool id="featureselector" name="FeatureSelector" version="1.5">
4 <description>run feature-selection on a QSAR model</description>
5 <command interpreter="bash"><![CDATA[../../FeatureSelector
6 #if str( $i ) != '' and str( $i ) != 'None' :
7 -i "$i"
8 #end if
9 #if str( $dat ) != '' and str( $dat ) != 'None' :
10 -dat "$dat"
11 #end if
12 #if str( $o ) != '' and str( $o ) != 'None' :
13 -o "$o"
14 #end if
15 #if str( $type ) != '' and str( $type ) != 'None' :
16 -type "$type"
17 #end if
18 | tail -n 5
19 ]]></command>
20 <inputs>
21 <param name="i" optional="false" label="input mod-file" type="data" format="mod"/>
22 <param name="dat" optional="false" label="data-file" type="data" format="dat"/>
23 <param name="type" optional="false" label="feature-selection type" type="select">
24 <option value="remove_correlated">remove_correlated</option>
25 <option value="forward_selection">forward_selection</option>
26 <option value="backward_selection">backward_selection</option>
27 <option value="stepwise_selection">stepwise_selection</option>
28 <option value="twinscan">twinscan</option>
29 <option value="removeLowResponseCorrelation">removeLowResponseCorrelation</option>
30 </param>
31 </inputs>
32 <outputs>
33 <data name="o" format="mod"/>
34 </outputs>
35 <help>FeatureSelector runs a feature-selection for a given QSAR model.
36
37 The type of feature-selection to be done is specified by '-type'. Input of this tool is a data file as generated by InputReader containing the training data for feature-selection and a QSAR model file as generated by ModelCreator (or this tool itself). Note that you can apply several feature-selection methods in succession by using the output of one call of this tool as input for the next call.
38 Model- and kernel-parameters (if any) will be automatically optimized by cross-validation after applying the desired feature-selection.
39
40 Output of this tool is a model-file that can be used by other QuEasy tools (e.g. Validator).</help>
41 </tool>