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DRCfit_​biochemical_​ECBD

DRC_biochemical_toECBD

DRC_biochemical_toECBD

This workflow can be used to fit dose-response curves from normalised biochemical assay data (%Inhibition) using the HCS extension. This workflow needs R-Server to run in the back-end. Start R and run the following command: library(Rserve); Rserve(args = "--vanilla")
IC50 values will not be extrapolated outside the tested concentration range
For activity classification the following criteria are applied:
- maximum (average % inhibion) >25 % and slope is >0 and IC50 > 5 µM or
- minimum (average % inhibion) >75 %
Results are formatted for upload to the European Chemical Biology Database (ECBD)

endpoint file for ECBD upload parameter file for ECBD upload result file for ECBD upload sort by cpd IDparameter tableNode 385Node 388result tableendpoint fileNode 411Node 412Node 414 Sorter Column Filter Column Resorter Column Resorter Column Filter Column Rename DRC fitting Activitydetermination Table Reader endpoint file for ECBD upload parameter file for ECBD upload result file for ECBD upload sort by cpd IDparameter tableNode 385Node 388result tableendpoint fileNode 411Node 412Node 414 Sorter Column Filter Column Resorter Column Resorter Column Filter Column Rename DRC fitting Activitydetermination Table Reader

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To use this workflow in KNIME, download it from the below URL and open it in KNIME:

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Created by: Jeanette.Reinshagen
Created at: 2022-02-14
On NodePit since: 2022-04-07
Last update: 2024-04-18
Created with KNIME version: v4.5.2

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