R/ShinyHelp/HelpPredData.md

In ChristianAmes/FastRet: Retention time prediction and subset selection with a GUI

Prediction Data Upload

This file input has to be an excel file with the following columns:

• NAME
• SMILES (if model used uses CDK descriptors)
• HMDB (if model used uses HMDB descriptors)

ChristianAmes/FastRet documentation built on June 17, 2022, 6 a.m.