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1 <?xml version="1.0"?>
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2 <tool id="aaacaret004" name="Extract Compound IDs From Prediction Result based on scores " version="1.0.1">
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3 <description>This tool extracts compounds from prediction result based on given score</description>
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4 <command interpreter="Rscript">mayachemtool/condition.R $predictionfile $LT $GT $type $SelectedCompound </command>
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5
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6 <inputs>
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7 <param name="predictionfile" type="data" format="txt,csv,tabular" label="Predition Result File" help ="upload gcac prediction result file " />
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8 <param name="type" type="select" label="Active/Positive or Inactive/Negative" help ="select type of molecule">
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9 <option value="Active" selected="True">Active/Positive</option>
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10 <option value="Inactive">Inactive/Negative</option>
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11 </param>
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12 <param name="GT" type="float" value="0.5" label="Score greater than and equal to" help ="define value above which compound selected default is 0.5" />
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13 <param name="LT" type="float" value="1.0" label="Score less than and equal to" help ="define value below which compound selected default is 1" />
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14 </inputs>
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15 <outputs>
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16 <data name="SelectedCompound" type="data" format="txt" label="Refind-${predictionfile.name}" />
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17 </outputs>
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18 <help>
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19 </help>
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20 </tool>
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