view CADDSuite/galaxyconfigs/tools/FeatureSelector.xml @ 3:bb26168c5715

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<!--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.-->
<tool id="featureselector" name="FeatureSelector" version="0.95">
    <description>run feature-selection on a QSAR model</description>
    <command interpreter="bash"><![CDATA[../../FeatureSelector 
#if str( $i ) != ''  and str( $i ) != 'None' :
   -i "$i"
#end if
#if str( $dat ) != ''  and str( $dat ) != 'None' :
   -dat "$dat"
#end if
#if str( $o ) != ''  and str( $o ) != 'None' :
   -o "$o"
#end if
#if str( $type ) != ''  and str( $type ) != 'None' :
   -type "$type"
#end if
 | tail -n 5
]]></command>
    <inputs>
        <param name="i" optional="false" label="input mod-file" type="data" format="mod"/>
        <param name="dat" optional="false" label="data-file" type="data" format="dat"/>
        <param name="type" optional="false" label="feature-selection type" type="select">
            <option value="remove_correlated">remove_correlated</option>
            <option value="forward_selection">forward_selection</option>
            <option value="backward_selection">backward_selection</option>
            <option value="stepwise_selection">stepwise_selection</option>
            <option value="twinscan">twinscan</option>
            <option value="removeLowResponseCorrelation">removeLowResponseCorrelation</option>
        </param>
    </inputs>
    <outputs>
        <data name="o" format="mod"/>
    </outputs>
    <help>FeatureSelector runs a feature-selection for a given QSAR model.

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.
Model- and kernel-parameters (if any) will be automatically optimized by cross-validation after applying the desired feature-selection.

Output of this tool is a model-file that can be used by other QuEasy tools (e.g. Validator).</help>
</tool>