Mercurial > repos > marcel > caddsuite_mac10_6
comparison CADDSuite-1.0.1/galaxyconfigs/tools/FeatureSelector.xml @ 5:e30a41af9d2b
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| author | marcel |
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| date | Tue, 15 Nov 2011 10:53:16 -0500 |
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| 4:af446ca2d5c6 | 5:e30a41af9d2b |
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| 1 | |
| 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="1.0.1"> | |
| 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> |