Mercurial > repos > recetox > retip_filter_rt

comparison macros.xml @ 1:ddcf42d5c99c draft

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"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/retip commit d989bc22c6af869b77be6a366935d4d7a57cf29d"
author recetox
date Wed, 14 Oct 2020 08:41:28 +0000
parents 9a1c51cd7899
children bd2eafd07e9e
comparison
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0:9a1c51cd7899 1:ddcf42d5c99c
9 <citations> 9 <citations>
10 <citation type="doi">https://doi.org/10.1021/acs.analchem.9b05765</citation> 10 <citation type="doi">https://doi.org/10.1021/acs.analchem.9b05765</citation>
11 </citations> 11 </citations>
12 </xml> 12 </xml>
13 <token name="@HELP@"><![CDATA[ 13 <token name="@HELP@"><![CDATA[
14 Retip is an R package for predicting Retention Time (RT) for small molecules in a high pressure liquid 14 **Retip** is an R package for predicting Retention Time (RT) for small molecules in a high pressure liquid
15 chromatography (HPLC) Mass Spectrometry analysis. Retention time calculation can be useful in identifying 15 chromatography (HPLC) Mass Spectrometry analysis. Retention time calculation can be useful in identifying
16 unknowns and removing false positive annotations. It uses five different machine learning algorithms to built a 16 unknowns and removing false positive annotations. It uses five different machine learning algorithms to built a
17 stable, accurate and fast RT prediction model: 17 stable, accurate and fast RT prediction model:
18 18
19 - Random Forest: a decision tree algorithms 19 - Random Forest: a decision tree algorithms