diff CADDSuite-1.0.1/galaxyconfigs/tools/FeatureSelector.xml @ 5:e30a41af9d2b

Uploaded

--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/CADDSuite-1.0.1/galaxyconfigs/tools/FeatureSelector.xml	Tue Nov 15 10:53:16 2011 -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="1.0.1">
+    <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