Mercurial > repos > marcel > caddsuite_linux_x86_64
diff CADDSuite-1.0/galaxyconfigs/tools/FeatureSelector.xml @ 14:55c32b55c2c2
Uploaded Version 1.1
author | marcel |
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date | Thu, 12 Jan 2012 11:00:43 -0500 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/CADDSuite-1.0/galaxyconfigs/tools/FeatureSelector.xml Thu Jan 12 11:00:43 2012 -0500 @@ -0,0 +1,41 @@ + +<!--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="1.1"> + <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> \ No newline at end of file