view galaxy_stubs/AutoModel.xml @ 2:605370bc1def draft default tip

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<?xml version='1.0' encoding='UTF-8'?>
<!--This is a configuration file for the integration of a tools into Galaxy (https://galaxyproject.org/). This file was automatically generated using CTD2Galaxy.-->
<!--Proposed Tool Section: [QuEasy (QSAR)]-->
<tool id="AutoModel" name="AutoModel" version="1.1.0">
  <description>automatically find best QSAR model</description>
  <macros>
    <token name="@EXECUTABLE@">AutoModel</token>
    <import>macros.xml</import>
  </macros>
  <expand macro="stdio"/>
  <expand macro="requirements"/>
  <command>AutoModel

#if $param_i:
  -i $param_i
#end if
#if $param_o:
  -o $param_o
#end if
#if $param_min_quality:
  -min_quality $param_min_quality
#end if
</command>
  <inputs>
    <param name="param_i" type="data" format="dat" optional="False" value="&lt;class 'CTDopts.CTDopts._Null'&gt;" label="input data-file" help="(-i) "/>
    <param name="param_min_quality" type="float" min="0.0" max="1.0" optional="True" value="0.3" label="minimal desired quality (default: 0.3)" help="(-min_quality) "/>
  </inputs>
  <expand macro="advanced_options"/>
  <outputs>
    <data name="param_o" format="mod"/>
  </outputs>
  <help>This tool tries to automatically find the best QSAR model for a given data set. 

It therefore applies nested validation, including feature selection, for each available model-type. The model with the best nested prediction quality is saved to the specified output file. However, if the best obtained nested prediction quality is smaller than the value specified by '-min_quality', an error will be shown and no model will be saved.

</help>
</tool>