Icon

231107 IC50 curve fitting with outlier detection and error handling

There has been no title set for this workflow's metadata.

There has been no description set for this workflow's metadata.

This workflow can be used to fit IC50 data.It produces a data table containing the extracted IC50 parameters, an automated evaluation of the extracted parameters, and the IC50 plotIt implements an automated outlier detection algorithm (detected outliers are painted in violet in the plots):Motulsky, H.J., Brown, R.E. Detecting outliers when fitting data with nonlinear regression – a new method based on robust nonlinear regression and the falsediscovery rate. BMC Bioinformatics 7, 123 (2006). https://doi.org/10.1186/1471-2105-7-123The curve fitting algorithm is based on the R drc package: Ritz C, Baty F, Streibig JC, Gerhard D (2015) Dose-Response Analysis Using R. PLoS ONE 10(12): e0146021. https://doi.org/10.1371/journal.pone.0146021 right click to configure the componentselect the columns forID - the ID of the measured sampleconcentration - the compound concentration of the sample (in micromolar) activity - the measured activity/response, usually a percent value Fits and plotsIC50 datatry to install "drc" package if not presentread IC50 testdata Calculate IC50 R Snippet Table Reader This workflow can be used to fit IC50 data.It produces a data table containing the extracted IC50 parameters, an automated evaluation of the extracted parameters, and the IC50 plotIt implements an automated outlier detection algorithm (detected outliers are painted in violet in the plots):Motulsky, H.J., Brown, R.E. Detecting outliers when fitting data with nonlinear regression – a new method based on robust nonlinear regression and the falsediscovery rate. BMC Bioinformatics 7, 123 (2006). https://doi.org/10.1186/1471-2105-7-123The curve fitting algorithm is based on the R drc package: Ritz C, Baty F, Streibig JC, Gerhard D (2015) Dose-Response Analysis Using R. PLoS ONE 10(12): e0146021. https://doi.org/10.1371/journal.pone.0146021 right click to configure the componentselect the columns forID - the ID of the measured sampleconcentration - the compound concentration of the sample (in micromolar) activity - the measured activity/response, usually a percent value Fits and plotsIC50 datatry to install "drc" package if not presentread IC50 testdata Calculate IC50 R Snippet Table Reader

Nodes

Extensions

Links

Download

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

Download Workflow
Created by: Neuenschwander.Marti
Created at: 2023-09-11
On NodePit since: 2024-02-01
Last update: 2024-04-27
Created with KNIME version: v5.1.0

Deploy, schedule, execute, and monitor your KNIME workflows locally, in the cloud or on-premises – with our brand new NodePit Runner.

Try NodePit Runner!